N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide

C16H24N2O3 — CID 112993457

IUPACN-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
SMILESCOc1ccccc1CCNC(=O)CNC(=O)CC(C)C
InChIInChI=1S/C16H24N2O3/c1-12(2)10-15(19)18-11-16(20)17-9-8-13-6-4-5-7-14(13)21-3/h4-7,12H,8-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyIRMHNMNNABBWTO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.52
Rot. Bonds8

About N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide

N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 112993457) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
PubChem CID112993457
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
SMILESCOc1ccccc1CCNC(=O)CNC(=O)CC(C)C
InChIInChI=1S/C16H24N2O3/c1-12(2)10-15(19)18-11-16(20)17-9-8-13-6-4-5-7-14(13)21-3/h4-7,12H,8-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyIRMHNMNNABBWTO-UHFFFAOYSA-N
XLogP1.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 103629773
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide
CID 109012770
N-[2-(2-methoxyphenyl)ethyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112993472
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 86910700
N'-[2-(2-methoxyphenyl)acetyl]-3-methylbutanehydrazide
CID 46653047
2-[2-(2-fluorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000124
5-amino-N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 106260751

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide (CID 112993457) is N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide is COc1ccccc1CCNC(=O)CNC(=O)CC(C)C.
What is the InChIKey of N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is IRMHNMNNABBWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)10-15(19)18-11-16(20)17-9-8-13-6-4-5-7-14(13)21-3/h4-7,12H,8-11H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide?
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 292.38 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 112993457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).