3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide

C14H21ClN2O — CID 64685809

IUPAC3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
SMILESCCC(NC(=O)CC(C)(C)N)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-4-12(10-5-7-11(15)8-6-10)17-13(18)9-14(2,3)16/h5-8,12H,4,9,16H2,1-3H3,(H,17,18)
InChIKeyDDOUDGXOYSJVGT-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.03
Rot. Bonds5

About 3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide

3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide (PubChem CID 64685809) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
PubChem CID64685809
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
SMILESCCC(NC(=O)CC(C)(C)N)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-4-12(10-5-7-11(15)8-6-10)17-13(18)9-14(2,3)16/h5-8,12H,4,9,16H2,1-3H3,(H,17,18)
InChIKeyDDOUDGXOYSJVGT-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

5-[1-(4-chlorophenyl)propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933020
2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
CID 61265406
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide
CID 86919184
5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide
CID 107908718
N-[1-(4-chlorophenyl)propyl]-2-(2-fluorophenyl)acetamide
CID 18158661
N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
CID 24613384
N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide
CID 166291370
N-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 17450177
2-(4-acetamidophenyl)-N-[(1R)-1-(4-chlorophenyl)propyl]acetamide
CID 42138957
N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 41490453

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide (CID 64685809) is 3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide is CCC(NC(=O)CC(C)(C)N)c1ccc(Cl)cc1.
What is the InChIKey of 3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide?
The InChIKey is DDOUDGXOYSJVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-12(10-5-7-11(15)8-6-10)17-13(18)9-14(2,3)16/h5-8,12H,4,9,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide?
3-amino-N-[1-(4-chlorophenyl)propyl]-3-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 3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide is sourced from PubChem (CID 64685809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).