2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide

C14H21N3O2 — CID 54862017

IUPAC2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide
SMILESCc1ccc(C(C)NC(=O)C(N)CC(N)=O)c(C)c1
InChIInChI=1S/C14H21N3O2/c1-8-4-5-11(9(2)6-8)10(3)17-14(19)12(15)7-13(16)18/h4-6,10,12H,7,15H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyUNJMXMFXXWKXJV-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.68
Rot. Bonds5

About 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide

2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide (PubChem CID 54862017) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide
PubChem CID54862017
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide
SMILESCc1ccc(C(C)NC(=O)C(N)CC(N)=O)c(C)c1
InChIInChI=1S/C14H21N3O2/c1-8-4-5-11(9(2)6-8)10(3)17-14(19)12(15)7-13(16)18/h4-6,10,12H,7,15H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyUNJMXMFXXWKXJV-UHFFFAOYSA-N
XLogP0.68
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2-methylphenyl)ethyl]butanediamide
CID 61259896
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide
CID 54862005
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide
CID 62472493
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119716665
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide
CID 81380522
3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119716655
3-amino-4-[1-(2-methoxy-5-methylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896852
5-[1-(2,4-dimethylphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62964709
2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride
CID 119955956
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 100749058

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide?
The IUPAC name of 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide (CID 54862017) is 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide.
What is the SMILES notation for 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide?
The canonical SMILES for 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide is Cc1ccc(C(C)NC(=O)C(N)CC(N)=O)c(C)c1.
What is the InChIKey of 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide?
The InChIKey is UNJMXMFXXWKXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8-4-5-11(9(2)6-8)10(3)17-14(19)12(15)7-13(16)18/h4-6,10,12H,7,15H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide?
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide has a molecular weight of 263.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide is sourced from PubChem (CID 54862017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).