N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide

C20H26N2O — CID 109020135

IUPACN-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide
SMILESCC(C)c1ccccc1NCCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-15(2)18-11-7-8-12-19(18)21-14-13-20(23)22-16(3)17-9-5-4-6-10-17/h4-12,15-16,21H,13-14H2,1-3H3,(H,22,23)
InChIKeyJGDWRKPXOPGKRT-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.49
Rot. Bonds7

About N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide

N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide (PubChem CID 109020135) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide
PubChem CID109020135
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide
SMILESCC(C)c1ccccc1NCCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-15(2)18-11-7-8-12-19(18)21-14-13-20(23)22-16(3)17-9-5-4-6-10-17/h4-12,15-16,21H,13-14H2,1-3H3,(H,22,23)
InChIKeyJGDWRKPXOPGKRT-UHFFFAOYSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide
CID 109012982
N-methyl-3-(2-propan-2-ylanilino)propanamide
CID 62325491
3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide
CID 109020148
methyl 3-(2-propan-2-ylanilino)propanoate
CID 43365367
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036788
N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide
CID 109035429
N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide
CID 109031466
N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide
CID 109014020
methyl 4-chloro-3-[[3-oxo-3-(1-phenylethylamino)propyl]amino]benzoate
CID 109020176
N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide?
The IUPAC name of N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide (CID 109020135) is N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide?
The canonical SMILES for N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide is CC(C)c1ccccc1NCCC(=O)NC(C)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide?
The InChIKey is JGDWRKPXOPGKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(2)18-11-7-8-12-19(18)21-14-13-20(23)22-16(3)17-9-5-4-6-10-17/h4-12,15-16,21H,13-14H2,1-3H3,(H,22,23).
What are the key properties of N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide?
N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide has a molecular weight of 310.44 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide is sourced from PubChem (CID 109020135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).