N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide

C22H23NO2 — CID 2928633

IUPACN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C22H23NO2/c1-15(2)14-20(25)23-22(17-9-4-3-5-10-17)21-18-11-7-6-8-16(18)12-13-19(21)24/h3-13,15,22,24H,14H2,1-2H3,(H,23,25)
InChIKeyUOLRIUAWKGHNQT-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.80
Rot. Bonds5

About N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide

N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide (PubChem CID 2928633) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide
PubChem CID2928633
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C22H23NO2/c1-15(2)14-20(25)23-22(17-9-4-3-5-10-17)21-18-11-7-6-8-16(18)12-13-19(21)24/h3-13,15,22,24H,14H2,1-2H3,(H,23,25)
InChIKeyUOLRIUAWKGHNQT-UHFFFAOYSA-N
XLogP4.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide 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

Benzamide, N-[(2-hydroxy-1-naphthalenyl)methyl]-
CID 796808
(S)-2-amino-N-((S)-2-(2-(benzylamino)-2-oxoethyl)-3-oxo-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl)-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 11664525
N(Me2)Tyr(2,6-diMe)-Tic-NHMe
CID 10835349
1-{[Benzyl(methyl)amino]methyl}-2-naphthol
CID 577695
N-(2-(7-hydroxy-1-naphthyl)ethyl)acetamide
CID 11775984
Mls002920688
CID 292314
3-(5-Formyl-6-hydroxy-2-naphthalenyl)-N-(1-methylethyl)benzamide
CID 59599904
N-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinolin-3-ylmethyl}-acetamide
CID 10872951
2-Amino-1-(3-dimethylaminomethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-hydroxy-2,6-dimethyl-phenyl)-propan-1-one
CID 11728653
2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-hydroxy-2,6-dimethyl-phenyl)-propan-1-one
CID 11729952
H-Tyr(2,6-diMe)-Tic-NHMe
CID 11794237
2-[(S)-3-(4-Hydroxy-2,6-dimethyl-phenyl)-2-methylamino-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide
CID 44336096

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide (CID 2928633) is N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide is CC(C)CC(=O)NC(c1ccccc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide?
The InChIKey is UOLRIUAWKGHNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-15(2)14-20(25)23-22(17-9-4-3-5-10-17)21-18-11-7-6-8-16(18)12-13-19(21)24/h3-13,15,22,24H,14H2,1-2H3,(H,23,25).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide?
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide has a molecular weight of 333.43 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-methylbutanamide is sourced from PubChem (CID 2928633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).