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

C15H22N2O — CID 131862373

IUPAC2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide
SMILESCCCCC(N)C(=O)N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C15H22N2O/c1-2-3-9-13(16)15(18)17-14-10-12(14)11-7-5-4-6-8-11/h4-8,12-14H,2-3,9-10,16H2,1H3,(H,17,18)/t12-,13?,14+/m1/s1
InChIKeyVPSCPBCVXMPJAR-YIOYIWSBSA-N
MW246.35 g/mol
LogP2.18
Rot. Bonds6

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

2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide (PubChem CID 131862373) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide
PubChem CID131862373
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide
SMILESCCCCC(N)C(=O)N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C15H22N2O/c1-2-3-9-13(16)15(18)17-14-10-12(14)11-7-5-4-6-8-11/h4-8,12-14H,2-3,9-10,16H2,1H3,(H,17,18)/t12-,13?,14+/m1/s1
InChIKeyVPSCPBCVXMPJAR-YIOYIWSBSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-phenylcyclopropyl)propanamide
CID 78977151
2-amino-3-methyl-N-(2-phenylcyclopropyl)pentanamide;hydrochloride
CID 119709457
2-amino-N-(2,3-dihydro-1H-inden-2-yl)hexanamide
CID 107842684
2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide
CID 76923919
(2S)-2-amino-2-phenyl-N-(2-phenylcyclopropyl)acetamide
CID 104897747
2-methyl-3-oxo-3-[(2-phenylcyclopropyl)amino]propanoic acid
CID 114898248
2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
CID 118334207
2-amino-N-benzyl-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexanamide
CID 74538696
(2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid
CID 107566679
benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022
2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
CID 62305097
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide?
The IUPAC name of 2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide (CID 131862373) is 2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide.
What is the SMILES notation for 2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide?
The canonical SMILES for 2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide is CCCCC(N)C(=O)N[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide?
The InChIKey is VPSCPBCVXMPJAR-YIOYIWSBSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-9-13(16)15(18)17-14-10-12(14)11-7-5-4-6-8-11/h4-8,12-14H,2-3,9-10,16H2,1H3,(H,17,18)/t12-,13?,14+/m1/s1.
What are the key properties of 2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide?
2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide has a molecular weight of 246.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide is sourced from PubChem (CID 131862373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).