3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide

C19H24N2O — CID 109018986

IUPAC3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCNCc1ccccc1
InChIInChI=1S/C19H24N2O/c1-15(2)17-10-6-7-11-18(17)21-19(22)12-13-20-14-16-8-4-3-5-9-16/h3-11,15,20H,12-14H2,1-2H3,(H,21,22)
InChIKeySUOLFPANSKSBHV-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.93
Rot. Bonds7

About 3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide

3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 109018986) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID109018986
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCNCc1ccccc1
InChIInChI=1S/C19H24N2O/c1-15(2)17-10-6-7-11-18(17)21-19(22)12-13-20-14-16-8-4-3-5-9-16/h3-11,15,20H,12-14H2,1-2H3,(H,21,22)
InChIKeySUOLFPANSKSBHV-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 109019653
3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109032020
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
CID 112517159
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54806994
3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109013163
(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide
CID 26584984
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021297
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(2-propan-2-ylphenyl)propanamide
CID 723442
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide (CID 109018986) is 3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)CCNCc1ccccc1.
What is the InChIKey of 3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is SUOLFPANSKSBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-15(2)17-10-6-7-11-18(17)21-19(22)12-13-20-14-16-8-4-3-5-9-16/h3-11,15,20H,12-14H2,1-2H3,(H,21,22).
What are the key properties of 3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide?
3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 296.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109018986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).