N-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide

C24H30N2O — CID 89013909

IUPACN-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide
SMILESC#CCCC(=O)NCC(C)(C)/C=C/CN[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H30N2O/c1-5-6-15-23(27)26-18-24(3,4)16-10-17-25-19(2)21-14-9-12-20-11-7-8-13-22(20)21/h1,7-14,16,19,25H,6,15,17-18H2,2-4H3,(H,26,27)/b16-10+/t19-/m1/s1
InChIKeyHENIKRUKBAZQJM-OUQXZNHLSA-N
MW362.52 g/mol
LogP4.60
Rot. Bonds9

About N-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide

N-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide (PubChem CID 89013909) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide.

Molecular Properties

Compound NameN-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide
PubChem CID89013909
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC NameN-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide
SMILESC#CCCC(=O)NCC(C)(C)/C=C/CN[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H30N2O/c1-5-6-15-23(27)26-18-24(3,4)16-10-17-25-19(2)21-14-9-12-20-11-7-8-13-22(20)21/h1,7-14,16,19,25H,6,15,17-18H2,2-4H3,(H,26,27)/b16-10+/t19-/m1/s1
InChIKeyHENIKRUKBAZQJM-OUQXZNHLSA-N
XLogP4.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide with MolForge

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Related Compounds

(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol
CID 70834153
benzyl (Z)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enoate
CID 70834358
methyl (E)-2,2-dimethyl-6-[[(1R)-1-naphthalen-1-ylethyl]amino]hex-4-enoate
CID 70834224
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol
CID 91065022
1-[(E)-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]-3-propylurea
CID 70834351
N-[2,2-dimethyl-7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-ynyl]cyclohex-3-ene-1-carboxamide
CID 91408569
N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine
CID 91425181
6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine
CID 91196178
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine
CID 118703628
(E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine
CID 89294620
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 46194726

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide?
The IUPAC name of N-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide (CID 89013909) is N-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide.
What is the SMILES notation for N-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide?
The canonical SMILES for N-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide is C#CCCC(=O)NCC(C)(C)/C=C/CN[C@H](C)c1cccc2ccccc12.
What is the InChIKey of N-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide?
The InChIKey is HENIKRUKBAZQJM-OUQXZNHLSA-N. The full InChI is InChI=1S/C24H30N2O/c1-5-6-15-23(27)26-18-24(3,4)16-10-17-25-19(2)21-14-9-12-20-11-7-8-13-22(20)21/h1,7-14,16,19,25H,6,15,17-18H2,2-4H3,(H,26,27)/b16-10+/t19-/m1/s1.
What are the key properties of N-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide?
N-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide has a molecular weight of 362.52 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-enyl]pent-4-ynamide is sourced from PubChem (CID 89013909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).