N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide

C20H26N2O2 — CID 110006658

IUPACN-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(NCc2ccc(CO)cc2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C20H26N2O2/c1-14-5-10-17(11-18(14)22-19(24)20(2,3)4)21-12-15-6-8-16(13-23)9-7-15/h5-11,21,23H,12-13H2,1-4H3,(H,22,24)
InChIKeyUUOPDRVECUCHDH-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.08
Rot. Bonds5

About N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide

N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide (PubChem CID 110006658) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide
PubChem CID110006658
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(NCc2ccc(CO)cc2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C20H26N2O2/c1-14-5-10-17(11-18(14)22-19(24)20(2,3)4)21-12-15-6-8-16(13-23)9-7-15/h5-11,21,23H,12-13H2,1-4H3,(H,22,24)
InChIKeyUUOPDRVECUCHDH-UHFFFAOYSA-N
XLogP4.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528
4-[[5-(2,2-dimethylpropanoylamino)-2-methylanilino]methyl]benzoic acid
CID 122029834
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
2,2-dimethyl-N-[2-methyl-5-[[2-(methylamino)acetyl]amino]phenyl]propanamide
CID 119780770
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide
CID 119780748
N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119780709
7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide
CID 119780750
N-[5-(1H-indazol-7-ylmethylamino)-2-methylphenyl]-2,2-dimethylpropanamide
CID 71968002
(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide
CID 112982446
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide
CID 28666072

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide (CID 110006658) is N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide is Cc1ccc(NCc2ccc(CO)cc2)cc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide?
The InChIKey is UUOPDRVECUCHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-5-10-17(11-18(14)22-19(24)20(2,3)4)21-12-15-6-8-16(13-23)9-7-15/h5-11,21,23H,12-13H2,1-4H3,(H,22,24).
What are the key properties of N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide?
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide has a molecular weight of 326.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110006658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).