2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide

C18H22N2O2 — CID 110006505

IUPAC2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NCc1ccc(CO)cc1
InChIInChI=1S/C18H22N2O2/c1-13(2)20-18(22)16-5-3-4-6-17(16)19-11-14-7-9-15(12-21)10-8-14/h3-10,13,19,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyZVTNIDZENRHPPP-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.93
Rot. Bonds6

About 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide

2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide (PubChem CID 110006505) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide
PubChem CID110006505
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NCc1ccc(CO)cc1
InChIInChI=1S/C18H22N2O2/c1-13(2)20-18(22)16-5-3-4-6-17(16)19-11-14-7-9-15(12-21)10-8-14/h3-10,13,19,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyZVTNIDZENRHPPP-UHFFFAOYSA-N
XLogP2.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide 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

2-(benzylamino)-N-propan-2-ylbenzamide
CID 110486900
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
4-[(2-methoxycarbonylanilino)methyl]benzoic acid
CID 65348011
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299
2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide
CID 55778353
2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75394822
N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide
CID 65313573
5-(methoxymethyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 78865416
[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone
CID 110006598
[4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol
CID 110006746
2-[(4-methoxyphenyl)methylamino]benzoate
CID 3280708

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide (CID 110006505) is 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NCc1ccc(CO)cc1.
What is the InChIKey of 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide?
The InChIKey is ZVTNIDZENRHPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(2)20-18(22)16-5-3-4-6-17(16)19-11-14-7-9-15(12-21)10-8-14/h3-10,13,19,21H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide?
2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 110006505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).