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'}

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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).