N-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide

C28H33N3O2 — CID 59853914

IUPACN-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC[C@@H](N)C(=O)N1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1
InChIInChI=1S/C28H33N3O2/c1-28(2,3)27(33)30-18-24(29)26(32)31-16-14-21(15-17-31)25-22-10-6-4-8-19(22)12-13-20-9-5-7-11-23(20)25/h4-13,24H,14-18,29H2,1-3H3,(H,30,33)/t24-/m1/s1
InChIKeyYMGXUPVQOOALIP-XMMPIXPASA-N
MW443.59 g/mol
LogP4.08
Rot. Bonds3

About N-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide

N-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide (PubChem CID 59853914) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide
PubChem CID59853914
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC NameN-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC[C@@H](N)C(=O)N1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1
InChIInChI=1S/C28H33N3O2/c1-28(2,3)27(33)30-18-24(29)26(32)31-16-14-21(15-17-31)25-22-10-6-4-8-19(22)12-13-20-9-5-7-11-23(20)25/h4-13,24H,14-18,29H2,1-3H3,(H,30,33)/t24-/m1/s1
InChIKeyYMGXUPVQOOALIP-XMMPIXPASA-N
XLogP4.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

tert-butyl 4-[5-(3-ethoxy-3-oxopropyl)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ylidene]piperidine-1-carboxylate
CID 68752009
N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride
CID 119529465
1-phenyl-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propan-1-one;hydrochloride
CID 22990895
2-amino-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethyl]benzenesulfonamide;hydrochloride
CID 22990697
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 112504694
4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 139802276
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
N-[3-[3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]phenyl]acetamide
CID 22990707
2-cyclohexyl-4-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]butanoic acid
CID 22990659
4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 22990695
methyl 3-[(E)-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]prop-1-enyl]benzoate;hydrochloride
CID 22990780
2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 7384743

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide (CID 59853914) is N-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC[C@@H](N)C(=O)N1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.
What is the InChIKey of N-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide?
The InChIKey is YMGXUPVQOOALIP-XMMPIXPASA-N. The full InChI is InChI=1S/C28H33N3O2/c1-28(2,3)27(33)30-18-24(29)26(32)31-16-14-21(15-17-31)25-22-10-6-4-8-19(22)12-13-20-9-5-7-11-23(20)25/h4-13,24H,14-18,29H2,1-3H3,(H,30,33)/t24-/m1/s1.
What are the key properties of N-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide?
N-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide has a molecular weight of 443.59 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-amino-3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 59853914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).