N-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide

C24H27NO2 — CID 2920414

IUPACN-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(c1ccc(C(C)C)cc1)c1ccc2ccccc2c1O
InChIInChI=1S/C24H27NO2/c1-15(2)17-9-11-19(12-10-17)22(25-24(27)16(3)4)21-14-13-18-7-5-6-8-20(18)23(21)26/h5-16,22,26H,1-4H3,(H,25,27)
InChIKeyIDSZEOVUYLOAOW-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.53
Rot. Bonds5

About N-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide

N-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide (PubChem CID 2920414) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide
PubChem CID2920414
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(c1ccc(C(C)C)cc1)c1ccc2ccccc2c1O
InChIInChI=1S/C24H27NO2/c1-15(2)17-9-11-19(12-10-17)22(25-24(27)16(3)4)21-14-13-18-7-5-6-8-20(18)23(21)26/h5-16,22,26H,1-4H3,(H,25,27)
InChIKeyIDSZEOVUYLOAOW-UHFFFAOYSA-N
XLogP5.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 1312452
2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
CID 43135176
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680
N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
CID 1129397
2-(1-bromoethyl)naphthalen-1-ol
CID 140980182
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide
CID 3138762
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate
CID 135040960
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
4-[1-(1-hydroxynaphthalen-2-yl)ethylamino]butanoic acid
CID 60782934

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide (CID 2920414) is N-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide is CC(C)C(=O)NC(c1ccc(C(C)C)cc1)c1ccc2ccccc2c1O.
What is the InChIKey of N-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide?
The InChIKey is IDSZEOVUYLOAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-15(2)17-9-11-19(12-10-17)22(25-24(27)16(3)4)21-14-13-18-7-5-6-8-20(18)23(21)26/h5-16,22,26H,1-4H3,(H,25,27).
What are the key properties of N-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide?
N-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide has a molecular weight of 361.49 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxynaphthalen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 2920414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).