N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide

C15H24N2O2 — CID 54872486

IUPACN-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)CCCNC
InChIInChI=1S/C15H24N2O2/c1-4-17(15(18)6-5-11-16-2)12-13-7-9-14(19-3)10-8-13/h7-10,16H,4-6,11-12H2,1-3H3
InChIKeyPZVZIEINCJPNQT-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.04
Rot. Bonds8

About N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide

N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide (PubChem CID 54872486) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide
PubChem CID54872486
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)CCCNC
InChIInChI=1S/C15H24N2O2/c1-4-17(15(18)6-5-11-16-2)12-13-7-9-14(19-3)10-8-13/h7-10,16H,4-6,11-12H2,1-3H3
InChIKeyPZVZIEINCJPNQT-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 63307538
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560791
2-(tert-butylamino)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 112727502
2-(cyclopropylamino)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 54872668
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 64678742
3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 120609423
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide
CID 109022967
3-(2,5-dioxoimidazolidin-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 75511632
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612
2-ethoxy-N-[2-[ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 55593757

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide?
The IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide (CID 54872486) is N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide?
The canonical SMILES for N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide is CCN(Cc1ccc(OC)cc1)C(=O)CCCNC.
What is the InChIKey of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide?
The InChIKey is PZVZIEINCJPNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-17(15(18)6-5-11-16-2)12-13-7-9-14(19-3)10-8-13/h7-10,16H,4-6,11-12H2,1-3H3.
What are the key properties of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide?
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide is sourced from PubChem (CID 54872486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).