2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide

C15H23ClN2O — CID 60854385

IUPAC2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide
SMILESCCCCC(N)C(=O)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-3-4-8-14(17)15(19)18-11(2)9-12-6-5-7-13(16)10-12/h5-7,10-11,14H,3-4,8-9,17H2,1-2H3,(H,18,19)
InChIKeyVNUYLCQORJKYSA-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.90
Rot. Bonds7

About 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide

2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide (PubChem CID 60854385) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide
PubChem CID60854385
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide
SMILESCCCCC(N)C(=O)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-3-4-8-14(17)15(19)18-11(2)9-12-6-5-7-13(16)10-12/h5-7,10-11,14H,3-4,8-9,17H2,1-2H3,(H,18,19)
InChIKeyVNUYLCQORJKYSA-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide
CID 62473376
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide
CID 81372543
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
CID 62637658
2-amino-N-octan-2-yl-3-phenylpropanamide
CID 43711429
(2R)-2-amino-N-octan-2-yl-3-phenylpropanamide
CID 78985477
(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide
CID 93339949
(2S)-2-amino-N-[1-(furan-2-yl)propan-2-yl]hexanamide
CID 103950106
2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 61276094
(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 103794106
(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide;dihydrochloride
CID 76973395
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide?
The IUPAC name of 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide (CID 60854385) is 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide.
What is the SMILES notation for 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide?
The canonical SMILES for 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide is CCCCC(N)C(=O)NC(C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide?
The InChIKey is VNUYLCQORJKYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-4-8-14(17)15(19)18-11(2)9-12-6-5-7-13(16)10-12/h5-7,10-11,14H,3-4,8-9,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide?
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide has a molecular weight of 282.81 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide is sourced from PubChem (CID 60854385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).