2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide

C18H30N2O — CID 60684128

IUPAC2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide
SMILESCCc1ccc(C(NC(=O)CNC(C)CC)C(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-6-14(5)19-12-17(21)20-18(13(3)4)16-10-8-15(7-2)9-11-16/h8-11,13-14,18-19H,6-7,12H2,1-5H3,(H,20,21)
InChIKeyNHHQKKUFNIXRMN-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.45
Rot. Bonds8

About 2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide

2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide (PubChem CID 60684128) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide
PubChem CID60684128
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide
SMILESCCc1ccc(C(NC(=O)CNC(C)CC)C(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-6-14(5)19-12-17(21)20-18(13(3)4)16-10-8-15(7-2)9-11-16/h8-11,13-14,18-19H,6-7,12H2,1-5H3,(H,20,21)
InChIKeyNHHQKKUFNIXRMN-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 60719784
N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992506
N-butan-2-yl-2-[1-(4-ethylphenyl)ethylamino]acetamide
CID 60693867
(2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide
CID 61273458
N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 55437912
3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide
CID 64678600
2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 9276356
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,2-diphenylacetamide
CID 7671231
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8992755
2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 86911674
N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide
CID 60693789

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide (CID 60684128) is 2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide is CCc1ccc(C(NC(=O)CNC(C)CC)C(C)C)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide?
The InChIKey is NHHQKKUFNIXRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-14(5)19-12-17(21)20-18(13(3)4)16-10-8-15(7-2)9-11-16/h8-11,13-14,18-19H,6-7,12H2,1-5H3,(H,20,21).
What are the key properties of 2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide?
2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide has a molecular weight of 290.45 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 60684128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).