4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide

C16H25ClN2O — CID 120563545

IUPAC4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide
SMILESCC(N)CCC(=O)N(C)C(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-11(18)5-10-16(20)19(4)13(3)12(2)14-6-8-15(17)9-7-14/h6-9,11-13H,5,10,18H2,1-4H3
InChIKeyHSZDQPDINRWJEE-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.42
Rot. Bonds6

About 4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide

4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide (PubChem CID 120563545) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide
PubChem CID120563545
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide
SMILESCC(N)CCC(=O)N(C)C(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-11(18)5-10-16(20)19(4)13(3)12(2)14-6-8-15(17)9-7-14/h6-9,11-13H,5,10,18H2,1-4H3
InChIKeyHSZDQPDINRWJEE-UHFFFAOYSA-N
XLogP3.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide;hydrochloride
CID 120563544
N-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide
CID 119807690
6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 54870705
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125
4-amino-1-(4-chlorophenyl)pentan-1-one
CID 116571618
2-[[(2S,3R)-3-(4-chlorophenyl)butan-2-yl]-methylamino]acetic acid
CID 100638991
2-[[(2S,3S)-3-(4-chlorophenyl)butan-2-yl]-methylamino]acetic acid
CID 100639003
2-(aminomethyl)-N-[(2R,3S)-3-(4-chlorophenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 124693506
6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 47025634
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54870564
4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide
CID 115156651

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide?
The IUPAC name of 4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide (CID 120563545) is 4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide.
What is the SMILES notation for 4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide?
The canonical SMILES for 4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide is CC(N)CCC(=O)N(C)C(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide?
The InChIKey is HSZDQPDINRWJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-11(18)5-10-16(20)19(4)13(3)12(2)14-6-8-15(17)9-7-14/h6-9,11-13H,5,10,18H2,1-4H3.
What are the key properties of 4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide?
4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide has a molecular weight of 296.84 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide is sourced from PubChem (CID 120563545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).