3-amino-N-(3-chloro-4-propoxyphenyl)butanamide

C13H19ClN2O2 — CID 54862798

IUPAC3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(NC(=O)CC(C)N)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-3-6-18-12-5-4-10(8-11(12)14)16-13(17)7-9(2)15/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,17)
InChIKeyOVEVXYYXBTXUPA-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.80
Rot. Bonds6

About 3-amino-N-(3-chloro-4-propoxyphenyl)butanamide

3-amino-N-(3-chloro-4-propoxyphenyl)butanamide (PubChem CID 54862798) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-4-propoxyphenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
PubChem CID54862798
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(NC(=O)CC(C)N)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-3-6-18-12-5-4-10(8-11(12)14)16-13(17)7-9(2)15/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,17)
InChIKeyOVEVXYYXBTXUPA-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119715601
(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
CID 103831329
4-(3-chloro-4-propoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496736
4-amino-N-(3,4-dipropoxyphenyl)pentanamide
CID 120558926
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
4-(3-aminobutanoylamino)-2-chlorobenzoic acid
CID 61399027
2-bromo-N-(3-chloro-4-propoxyphenyl)butanamide
CID 62854145
3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
CID 81489388
N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281917
N-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286490
4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride
CID 120564955
3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide
CID 60837190

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-4-propoxyphenyl)butanamide?
The IUPAC name of 3-amino-N-(3-chloro-4-propoxyphenyl)butanamide (CID 54862798) is 3-amino-N-(3-chloro-4-propoxyphenyl)butanamide.
What is the SMILES notation for 3-amino-N-(3-chloro-4-propoxyphenyl)butanamide?
The canonical SMILES for 3-amino-N-(3-chloro-4-propoxyphenyl)butanamide is CCCOc1ccc(NC(=O)CC(C)N)cc1Cl.
What is the InChIKey of 3-amino-N-(3-chloro-4-propoxyphenyl)butanamide?
The InChIKey is OVEVXYYXBTXUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-6-18-12-5-4-10(8-11(12)14)16-13(17)7-9(2)15/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(3-chloro-4-propoxyphenyl)butanamide?
3-amino-N-(3-chloro-4-propoxyphenyl)butanamide has a molecular weight of 270.76 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-4-propoxyphenyl)butanamide is sourced from PubChem (CID 54862798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).