N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide

C21H21NO2 — CID 2841424

IUPACN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide
SMILESCCCC(=O)NC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C21H21NO2/c1-2-8-19(24)22-21(16-10-4-3-5-11-16)20-17-12-7-6-9-15(17)13-14-18(20)23/h3-7,9-14,21,23H,2,8H2,1H3,(H,22,24)
InChIKeyQNSRETRZMMMUCH-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.55
Rot. Bonds5

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

N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide (PubChem CID 2841424) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide
PubChem CID2841424
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide
SMILESCCCC(=O)NC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C21H21NO2/c1-2-8-19(24)22-21(16-10-4-3-5-11-16)20-17-12-7-6-9-15(17)13-14-18(20)23/h3-7,9-14,21,23H,2,8H2,1H3,(H,22,24)
InChIKeyQNSRETRZMMMUCH-UHFFFAOYSA-N
XLogP4.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.55
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]butanamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide (CID 2841424) is N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide is CCCC(=O)NC(c1ccccc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide?
The InChIKey is QNSRETRZMMMUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-2-8-19(24)22-21(16-10-4-3-5-11-16)20-17-12-7-6-9-15(17)13-14-18(20)23/h3-7,9-14,21,23H,2,8H2,1H3,(H,22,24).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide?
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide has a molecular weight of 319.40 g/mol, XLogP of 4.55, 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]butanamide is sourced from PubChem (CID 2841424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).