N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide

C21H28N2O — CID 60607222

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide
SMILESCCCC(C(=O)NCc1ccccc1CN(C)C)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-4-10-20(17-11-6-5-7-12-17)21(24)22-15-18-13-8-9-14-19(18)16-23(2)3/h5-9,11-14,20H,4,10,15-16H2,1-3H3,(H,22,24)
InChIKeyMYKYBEWQGYQIKM-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.95
Rot. Bonds8

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide (PubChem CID 60607222) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide
PubChem CID60607222
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide
SMILESCCCC(C(=O)NCc1ccccc1CN(C)C)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-4-10-20(17-11-6-5-7-12-17)21(24)22-15-18-13-8-9-14-19(18)16-23(2)3/h5-9,11-14,20H,4,10,15-16H2,1-3H3,(H,22,24)
InChIKeyMYKYBEWQGYQIKM-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 103813347
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylpentanamide
CID 134049550
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
CID 55104517
2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
CID 65229042
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119835445
2-phenyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 129204775
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 51101673
2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4878395
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide
CID 42905702
ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
CID 60668726
5-[[2-[(dimethylamino)methyl]phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62964535
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpentanamide
CID 140983186

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide (CID 60607222) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide is CCCC(C(=O)NCc1ccccc1CN(C)C)c1ccccc1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide?
The InChIKey is MYKYBEWQGYQIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-10-20(17-11-6-5-7-12-17)21(24)22-15-18-13-8-9-14-19(18)16-23(2)3/h5-9,11-14,20H,4,10,15-16H2,1-3H3,(H,22,24).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide has a molecular weight of 324.47 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide is sourced from PubChem (CID 60607222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).