2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide

C12H16ClN3O3 — CID 54862584

IUPAC2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide
SMILESCCOc1ccc(NC(=O)C(N)CC(N)=O)cc1Cl
InChIInChI=1S/C12H16ClN3O3/c1-2-19-10-4-3-7(5-8(10)13)16-12(18)9(14)6-11(15)17/h3-5,9H,2,6,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyYCSNLGFCZQXCHC-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.88
Rot. Bonds6

About 2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide

2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide (PubChem CID 54862584) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide
PubChem CID54862584
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide
SMILESCCOc1ccc(NC(=O)C(N)CC(N)=O)cc1Cl
InChIInChI=1S/C12H16ClN3O3/c1-2-19-10-4-3-7(5-8(10)13)16-12(18)9(14)6-11(15)17/h3-5,9H,2,6,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyYCSNLGFCZQXCHC-UHFFFAOYSA-N
XLogP0.88
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 54862511
(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 61179599
6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide
CID 65290958
3-amino-4-(4-ethoxy-3-methylanilino)-4-oxobutanoic acid
CID 115181227
(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
CID 103831329
2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119298223
(2S)-2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)butanamide
CID 79024527
2-amino-N-(4-chlorophenyl)butanediamide
CID 60846546
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 119285034
3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
CID 81489227
N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide
CID 115171854

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide?
The IUPAC name of 2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide (CID 54862584) is 2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide is CCOc1ccc(NC(=O)C(N)CC(N)=O)cc1Cl.
What is the InChIKey of 2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide?
The InChIKey is YCSNLGFCZQXCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-2-19-10-4-3-7(5-8(10)13)16-12(18)9(14)6-11(15)17/h3-5,9H,2,6,14H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide?
2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide has a molecular weight of 285.73 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide is sourced from PubChem (CID 54862584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).