5-(dibenzylamino)-N-methoxy-N-methylpentanamide

C21H28N2O2 — CID 87659903

IUPAC5-(dibenzylamino)-N-methoxy-N-methylpentanamide
SMILESCON(C)C(=O)CCCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H28N2O2/c1-22(25-2)21(24)15-9-10-16-23(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-8,11-14H,9-10,15-18H2,1-2H3
InChIKeyQGOKKXGOQNQQQF-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.88
Rot. Bonds10

About 5-(dibenzylamino)-N-methoxy-N-methylpentanamide

5-(dibenzylamino)-N-methoxy-N-methylpentanamide (PubChem CID 87659903) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-(dibenzylamino)-N-methoxy-N-methylpentanamide.

Molecular Properties

Compound Name5-(dibenzylamino)-N-methoxy-N-methylpentanamide
PubChem CID87659903
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name5-(dibenzylamino)-N-methoxy-N-methylpentanamide
SMILESCON(C)C(=O)CCCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H28N2O2/c1-22(25-2)21(24)15-9-10-16-23(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-8,11-14H,9-10,15-18H2,1-2H3
InChIKeyQGOKKXGOQNQQQF-UHFFFAOYSA-N
XLogP3.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dibenzylamino)-N-methoxy-N-methylacetamide
CID 15314218
N-methoxy-N-methyl-8-phenylmethoxyoctanamide
CID 169498132
methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate
CID 164962319
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate
CID 59544023
benzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate
CID 163255717
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
2-[benzyl-[2-[4-(4-phenylbutoxy)phenyl]ethyl]amino]-N-methoxy-N-methylacetamide
CID 86605038
2-[benzyl(4-methoxybutyl)amino]acetic acid
CID 119134936
(E)-18-(dibenzylamino)octadec-12-enoic acid
CID 18512777
N-methoxy-N-methyl-3-phenylbutanamide
CID 22612044
benzyl 2-butan-2-yl-5-[methoxy(methyl)amino]-5-oxopentanoate
CID 91041823

Frequently Asked Questions

What is the IUPAC name of 5-(dibenzylamino)-N-methoxy-N-methylpentanamide?
The IUPAC name of 5-(dibenzylamino)-N-methoxy-N-methylpentanamide (CID 87659903) is 5-(dibenzylamino)-N-methoxy-N-methylpentanamide.
What is the SMILES notation for 5-(dibenzylamino)-N-methoxy-N-methylpentanamide?
The canonical SMILES for 5-(dibenzylamino)-N-methoxy-N-methylpentanamide is CON(C)C(=O)CCCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 5-(dibenzylamino)-N-methoxy-N-methylpentanamide?
The InChIKey is QGOKKXGOQNQQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-22(25-2)21(24)15-9-10-16-23(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-8,11-14H,9-10,15-18H2,1-2H3.
What are the key properties of 5-(dibenzylamino)-N-methoxy-N-methylpentanamide?
5-(dibenzylamino)-N-methoxy-N-methylpentanamide has a molecular weight of 340.47 g/mol, XLogP of 3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibenzylamino)-N-methoxy-N-methylpentanamide is sourced from PubChem (CID 87659903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).