3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide

C17H28N2O — CID 64678600

IUPAC3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide
SMILESCCc1ccc(C(NC(=O)CC(C)(C)N)C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-6-13-7-9-14(10-8-13)16(12(2)3)19-15(20)11-17(4,5)18/h7-10,12,16H,6,11,18H2,1-5H3,(H,19,20)
InChIKeyLQKVUTDPUDZKME-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.19
Rot. Bonds6

About 3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide

3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide (PubChem CID 64678600) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide
PubChem CID64678600
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide
SMILESCCc1ccc(C(NC(=O)CC(C)(C)N)C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-6-13-7-9-14(10-8-13)16(12(2)3)19-15(20)11-17(4,5)18/h7-10,12,16H,6,11,18H2,1-5H3,(H,19,20)
InChIKeyLQKVUTDPUDZKME-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 60684128
N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 55437912
[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8845558
N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18090465
(2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide
CID 61273458
(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928673
2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 76887263
benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate
CID 60596157
[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 9197950
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,2-diphenylacetamide
CID 7671231
[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018343
[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 4-formylbenzoate
CID 9019783

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide (CID 64678600) is 3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide is CCc1ccc(C(NC(=O)CC(C)(C)N)C(C)C)cc1.
What is the InChIKey of 3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide?
The InChIKey is LQKVUTDPUDZKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-13-7-9-14(10-8-13)16(12(2)3)19-15(20)11-17(4,5)18/h7-10,12,16H,6,11,18H2,1-5H3,(H,19,20).
What are the key properties of 3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide?
3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide has a molecular weight of 276.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide is sourced from PubChem (CID 64678600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).