N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide

C16H26N2O2 — CID 109012770

IUPACN-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide
SMILESCOc1ccccc1CCNC(=O)CCNCC(C)C
InChIInChI=1S/C16H26N2O2/c1-13(2)12-17-10-9-16(19)18-11-8-14-6-4-5-7-15(14)20-3/h4-7,13,17H,8-12H2,1-3H3,(H,18,19)
InChIKeyJNDSWSMRPNQILE-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.99
Rot. Bonds9

About N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide

N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide (PubChem CID 109012770) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide
PubChem CID109012770
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide
SMILESCOc1ccccc1CCNC(=O)CCNCC(C)C
InChIInChI=1S/C16H26N2O2/c1-13(2)12-17-10-9-16(19)18-11-8-14-6-4-5-7-15(14)20-3/h4-7,13,17H,8-12H2,1-3H3,(H,18,19)
InChIKeyJNDSWSMRPNQILE-UHFFFAOYSA-N
XLogP1.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
5-amino-N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 106260751
N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019924
N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 17427984
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 112993457
2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)propanamide
CID 103604200
1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea
CID 19649703
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119687194
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide (CID 109012770) is N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide is COc1ccccc1CCNC(=O)CCNCC(C)C.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide?
The InChIKey is JNDSWSMRPNQILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)12-17-10-9-16(19)18-11-8-14-6-4-5-7-15(14)20-3/h4-7,13,17H,8-12H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide?
N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide has a molecular weight of 278.40 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide is sourced from PubChem (CID 109012770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).