2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide

C16H25N3O2 — CID 60848149

IUPAC2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)C(N)CC(N)=O)cc1
InChIInChI=1S/C16H25N3O2/c1-10(2)8-12-4-6-13(7-5-12)11(3)19-16(21)14(17)9-15(18)20/h4-7,10-11,14H,8-9,17H2,1-3H3,(H2,18,20)(H,19,21)
InChIKeySCEADPQBOVFUFE-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.26
Rot. Bonds7

About 2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide

2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide (PubChem CID 60848149) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide
PubChem CID60848149
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)C(N)CC(N)=O)cc1
InChIInChI=1S/C16H25N3O2/c1-10(2)8-12-4-6-13(7-5-12)11(3)19-16(21)14(17)9-15(18)20/h4-7,10-11,14H,8-9,17H2,1-3H3,(H2,18,20)(H,19,21)
InChIKeySCEADPQBOVFUFE-UHFFFAOYSA-N
XLogP1.26
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267839
(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide
CID 103793979
2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267840
3-amino-4-[1-(4-ethylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896081
N-[1-[4-[(2R)-2-aminopropyl]phenyl]ethyl]-2,2-bis(sulfanyl)acetamide
CID 57298459
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
CID 1207292
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 46807135
2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide
CID 56814568
(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide
CID 93341134
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 81354853
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 81348779

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide?
The IUPAC name of 2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide (CID 60848149) is 2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide.
What is the SMILES notation for 2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide?
The canonical SMILES for 2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide is CC(C)Cc1ccc(C(C)NC(=O)C(N)CC(N)=O)cc1.
What is the InChIKey of 2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide?
The InChIKey is SCEADPQBOVFUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10(2)8-12-4-6-13(7-5-12)11(3)19-16(21)14(17)9-15(18)20/h4-7,10-11,14H,8-9,17H2,1-3H3,(H2,18,20)(H,19,21).
What are the key properties of 2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide?
2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide has a molecular weight of 291.40 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide is sourced from PubChem (CID 60848149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).