3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide

C18H28N2O2 — CID 42699063

IUPAC3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide
SMILESCCC(=O)N(CCC(=O)NC(C)c1ccccc1)C(C)CC
InChIInChI=1S/C18H28N2O2/c1-5-14(3)20(18(22)6-2)13-12-17(21)19-15(4)16-10-8-7-9-11-16/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,19,21)
InChIKeyOCOXMVZKSALXKH-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.29
Rot. Bonds8

About 3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide

3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide (PubChem CID 42699063) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide
PubChem CID42699063
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide
SMILESCCC(=O)N(CCC(=O)NC(C)c1ccccc1)C(C)CC
InChIInChI=1S/C18H28N2O2/c1-5-14(3)20(18(22)6-2)13-12-17(21)19-15(4)16-10-8-7-9-11-16/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,19,21)
InChIKeyOCOXMVZKSALXKH-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide
CID 42699069
N-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide
CID 42699071
3-(diethylamino)-N-(1-phenylethyl)propanamide
CID 109020107
3-[(2-bromophenyl)carbamoyl-butan-2-ylamino]-N-(1-phenylethyl)propanamide
CID 42699218
3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide
CID 41165153
2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
CID 63867528
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431
N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide
CID 109020135

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide (CID 42699063) is 3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide is CCC(=O)N(CCC(=O)NC(C)c1ccccc1)C(C)CC.
What is the InChIKey of 3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide?
The InChIKey is OCOXMVZKSALXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-14(3)20(18(22)6-2)13-12-17(21)19-15(4)16-10-8-7-9-11-16/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,19,21).
What are the key properties of 3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide?
3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide has a molecular weight of 304.43 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 42699063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).