2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide

C22H29N3O — CID 74538696

IUPAC2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide
SMILESNC(CCCCN[C@@H]1C[C@H]1c1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C22H29N3O/c23-20(22(26)25-16-17-9-3-1-4-10-17)13-7-8-14-24-21-15-19(21)18-11-5-2-6-12-18/h1-6,9-12,19-21,24H,7-8,13-16,23H2,(H,25,26)/t19-,20?,21+/m0/s1
InChIKeyHCWMJOOUZXUERQ-SIGULFFNSA-N
MW351.49 g/mol
LogP2.95
Rot. Bonds10

About 2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide

2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide (PubChem CID 74538696) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide.

Molecular Properties

Compound Name2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide
PubChem CID74538696
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide
SMILESNC(CCCCN[C@@H]1C[C@H]1c1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C22H29N3O/c23-20(22(26)25-16-17-9-3-1-4-10-17)13-7-8-14-24-21-15-19(21)18-11-5-2-6-12-18/h1-6,9-12,19-21,24H,7-8,13-16,23H2,(H,25,26)/t19-,20?,21+/m0/s1
InChIKeyHCWMJOOUZXUERQ-SIGULFFNSA-N
XLogP2.95
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(3-methylphenyl)methyl]-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide;dihydrochloride
CID 118411668
2-amino-N-[(3-fluorophenyl)methyl]-6-[(2-phenylcyclopropyl)amino]hexanamide;dihydrochloride
CID 118411559
2-amino-6-[[(1R,2S)-2-phenylcyclopropyl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]hexanamide
CID 118411694
tert-butyl N-[1-(benzylamino)-1-oxo-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexan-2-yl]carbamate
CID 118411594
1-N-(2-aminoethyl)-3-N-[(2S)-1-(benzylamino)-1-oxo-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexan-2-yl]benzene-1,3-dicarboxamide
CID 90195721
N-[1-(benzylamino)-1-oxo-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexan-2-yl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 118411675
5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride
CID 67115781
N-[1-oxo-6-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-[(3-phenylphenyl)methylamino]hexan-2-yl]-4-phenylbenzamide;hydrochloride
CID 118411687
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexan-2-yl]-4-phenylbenzamide;hydrochloride
CID 118411699
2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide
CID 131862373
tert-butyl N-[(2S)-1-[(3-methylphenyl)methylamino]-1-oxo-6-[(2-phenylcyclopropyl)amino]hexan-2-yl]carbamate
CID 118899217
(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid
CID 91436913

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide?
The IUPAC name of 2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide (CID 74538696) is 2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide.
What is the SMILES notation for 2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide?
The canonical SMILES for 2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide is NC(CCCCN[C@@H]1C[C@H]1c1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of 2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide?
The InChIKey is HCWMJOOUZXUERQ-SIGULFFNSA-N. The full InChI is InChI=1S/C22H29N3O/c23-20(22(26)25-16-17-9-3-1-4-10-17)13-7-8-14-24-21-15-19(21)18-11-5-2-6-12-18/h1-6,9-12,19-21,24H,7-8,13-16,23H2,(H,25,26)/t19-,20?,21+/m0/s1.
What are the key properties of 2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide?
2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide has a molecular weight of 351.49 g/mol, XLogP of 2.95, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide is sourced from PubChem (CID 74538696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).