2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

C21H28N2O2 — CID 78823618

IUPAC2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCCCN(CC(=O)N(C)Cc1ccc(OC)cc1)Cc1ccccc1
InChIInChI=1S/C21H28N2O2/c1-4-14-23(16-18-8-6-5-7-9-18)17-21(24)22(2)15-19-10-12-20(25-3)13-11-19/h5-13H,4,14-17H2,1-3H3
InChIKeyAXYDCWJOALHBFA-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.57
Rot. Bonds9

About 2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 78823618) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID78823618
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCCCN(CC(=O)N(C)Cc1ccc(OC)cc1)Cc1ccccc1
InChIInChI=1S/C21H28N2O2/c1-4-14-23(16-18-8-6-5-7-9-18)17-21(24)22(2)15-19-10-12-20(25-3)13-11-19/h5-13H,4,14-17H2,1-3H3
InChIKeyAXYDCWJOALHBFA-UHFFFAOYSA-N
XLogP3.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797664
2-anilino-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60683095
2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid
CID 65064840
2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 86910816
2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 112779738
N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 109020403
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100790386
2-[benzyl(propyl)amino]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 46671885
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol
CID 93160595
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93160592

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (CID 78823618) is 2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is CCCN(CC(=O)N(C)Cc1ccc(OC)cc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is AXYDCWJOALHBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-14-23(16-18-8-6-5-7-9-18)17-21(24)22(2)15-19-10-12-20(25-3)13-11-19/h5-13H,4,14-17H2,1-3H3.
What are the key properties of 2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 340.47 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 78823618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).