N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide

C14H22N2O — CID 174196538

IUPACN-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCCc1cccc(CNC(=O)CNC(C)C)c1
InChIInChI=1S/C14H22N2O/c1-4-12-6-5-7-13(8-12)9-16-14(17)10-15-11(2)3/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyDQYJYNNGIZVQFP-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.86
Rot. Bonds6

About N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide

N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide (PubChem CID 174196538) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide
PubChem CID174196538
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCCc1cccc(CNC(=O)CNC(C)C)c1
InChIInChI=1S/C14H22N2O/c1-4-12-6-5-7-13(8-12)9-16-14(17)10-15-11(2)3/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyDQYJYNNGIZVQFP-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethylphenyl)methyl]-3-methylbutanamide
CID 70824104
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
(3-ethylphenyl)methylurea
CID 70298508
methyl 4-[[[2-(propan-2-ylamino)acetyl]amino]methyl]benzoate
CID 60641043
N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158289
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158215
N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 103795066
N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158229
N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397735

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide (CID 174196538) is N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide is CCc1cccc(CNC(=O)CNC(C)C)c1.
What is the InChIKey of N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is DQYJYNNGIZVQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-12-6-5-7-13(8-12)9-16-14(17)10-15-11(2)3/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide?
N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 234.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 174196538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).