3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide

C14H21ClN2O — CID 119315395

IUPAC3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide
SMILESCCC(CC)(NC(=O)CCN)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-3-14(4-2,17-13(18)9-10-16)11-5-7-12(15)8-6-11/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyLXZKANWRGKQXJC-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.82
Rot. Bonds6

About 3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide

3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide (PubChem CID 119315395) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide
PubChem CID119315395
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide
SMILESCCC(CC)(NC(=O)CCN)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-3-14(4-2,17-13(18)9-10-16)11-5-7-12(15)8-6-11/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyLXZKANWRGKQXJC-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-chlorophenyl)pentan-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119769493
N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide
CID 119315399
(3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide
CID 97310475
(2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide
CID 95331327
N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119769495
2-(2-chlorophenyl)-N-[2-(4-chlorophenyl)propan-2-yl]acetamide
CID 12807701
2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol
CID 61045994
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide
CID 60621631
(2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide
CID 120630325
N-[3-(aminomethyl)pentan-3-yl]-3-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119570011
1,3-bis[3-(4-ethylphenyl)pentan-3-yl]urea
CID 15589244
(1-amino-2-phenylbutan-2-yl)carbamic acid
CID 174540690

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide?
The IUPAC name of 3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide (CID 119315395) is 3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide?
The canonical SMILES for 3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide is CCC(CC)(NC(=O)CCN)c1ccc(Cl)cc1.
What is the InChIKey of 3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide?
The InChIKey is LXZKANWRGKQXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-14(4-2,17-13(18)9-10-16)11-5-7-12(15)8-6-11/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide?
3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide has a molecular weight of 268.79 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide is sourced from PubChem (CID 119315395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).