N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide

C22H28N2O — CID 15316897

IUPACN-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide
SMILESC=CC[C@H](CN(Cc1ccccc1)Cc1ccccc1)NC(=O)CC
InChIInChI=1S/C22H28N2O/c1-3-11-21(23-22(25)4-2)18-24(16-19-12-7-5-8-13-19)17-20-14-9-6-10-15-20/h3,5-10,12-15,21H,1,4,11,16-18H2,2H3,(H,23,25)/t21-/m1/s1
InChIKeyZBHJBFCBHKMSDH-OAQYLSRUSA-N
MW336.48 g/mol
LogP4.16
Rot. Bonds10

About N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide

N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide (PubChem CID 15316897) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide
PubChem CID15316897
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide
SMILESC=CC[C@H](CN(Cc1ccccc1)Cc1ccccc1)NC(=O)CC
InChIInChI=1S/C22H28N2O/c1-3-11-21(23-22(25)4-2)18-24(16-19-12-7-5-8-13-19)17-20-14-9-6-10-15-20/h3,5-10,12-15,21H,1,4,11,16-18H2,2H3,(H,23,25)/t21-/m1/s1
InChIKeyZBHJBFCBHKMSDH-OAQYLSRUSA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hept-1-en-4-yl-2-phenylacetamide
CID 10331469
(2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol
CID 102403190
1-N,1-N-dibenzylpent-4-ene-1,2-diamine
CID 130698505
methyl 2-[(dibenzylamino)methyl]but-3-enoate
CID 10924921
2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide
CID 55598658
methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
CID 60565095
(2R)-N-benzyl-2-hydroxy-N-methylpent-4-enamide
CID 11172024
N-benzyl-N-ethenylpropanamide
CID 11469541
(2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one
CID 11099804
N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide
CID 90765591
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
3-[(dibenzylamino)methyl]-4-methoxy-4-oxobutanoic acid
CID 139720772

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide?
The IUPAC name of N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide (CID 15316897) is N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide.
What is the SMILES notation for N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide?
The canonical SMILES for N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide is C=CC[C@H](CN(Cc1ccccc1)Cc1ccccc1)NC(=O)CC.
What is the InChIKey of N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide?
The InChIKey is ZBHJBFCBHKMSDH-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-11-21(23-22(25)4-2)18-24(16-19-12-7-5-8-13-19)17-20-14-9-6-10-15-20/h3,5-10,12-15,21H,1,4,11,16-18H2,2H3,(H,23,25)/t21-/m1/s1.
What are the key properties of N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide?
N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide has a molecular weight of 336.48 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide is sourced from PubChem (CID 15316897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).