2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide

C16H26N2O — CID 115187566

IUPAC2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
SMILESCCc1ccc(CCNC(=O)C(CN)C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-4-13-5-7-14(8-6-13)9-10-18-16(19)15(11-17)12(2)3/h5-8,12,15H,4,9-11,17H2,1-3H3,(H,18,19)
InChIKeyVVEUUOHONRIWRU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.14
Rot. Bonds7

About 2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide

2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide (PubChem CID 115187566) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
PubChem CID115187566
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
SMILESCCc1ccc(CCNC(=O)C(CN)C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-4-13-5-7-14(8-6-13)9-10-18-16(19)15(11-17)12(2)3/h5-8,12,15H,4,9-11,17H2,1-3H3,(H,18,19)
InChIKeyVVEUUOHONRIWRU-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115187565
(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 94689619
N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide
CID 115140882
2-(aminomethyl)-3-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115187573
2-amino-N-[2-(4-ethylphenyl)ethyl]acetamide
CID 94681068
N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119760944
2-cyano-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115188642
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
4-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzoic acid
CID 65227428
butan-2-yl N-[(2S)-1-[2-(4-ethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 22856215
2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide
CID 115187571
N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158289

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide (CID 115187566) is 2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide is CCc1ccc(CCNC(=O)C(CN)C(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide?
The InChIKey is VVEUUOHONRIWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-13-5-7-14(8-6-13)9-10-18-16(19)15(11-17)12(2)3/h5-8,12,15H,4,9-11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide?
2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 115187566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).