2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide

C14H21ClN2O — CID 79796813

IUPAC2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide
SMILESCCC(NC(=O)C(C)(N)CC)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-4-12(10-7-6-8-11(15)9-10)17-13(18)14(3,16)5-2/h6-9,12H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyIUPQONUHSYMHAC-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.03
Rot. Bonds5

About 2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide

2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide (PubChem CID 79796813) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide
PubChem CID79796813
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide
SMILESCCC(NC(=O)C(C)(N)CC)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-4-12(10-7-6-8-11(15)9-10)17-13(18)14(3,16)5-2/h6-9,12H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyIUPQONUHSYMHAC-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide
CID 62833393
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CID 64894322
2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide
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2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride
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N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
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(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide
CID 81371976
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792897
2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
CID 81082683
2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
CID 61265406

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide (CID 79796813) is 2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide is CCC(NC(=O)C(C)(N)CC)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide?
The InChIKey is IUPQONUHSYMHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-12(10-7-6-8-11(15)9-10)17-13(18)14(3,16)5-2/h6-9,12H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide?
2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide has a molecular weight of 268.79 g/mol, XLogP of 3.03, 5 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)propyl]-2-methylbutanamide is sourced from PubChem (CID 79796813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).