N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide

C21H27N3O2 — CID 55894112

IUPACN-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCC(=O)Nc2cccc(C(C)C)c2)c1
InChIInChI=1S/C21H27N3O2/c1-5-20(25)23-18-10-9-15(4)19(12-18)22-13-21(26)24-17-8-6-7-16(11-17)14(2)3/h6-12,14,22H,5,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyGNOFNCGZWJTSJW-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.52
Rot. Bonds7

About N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide

N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide (PubChem CID 55894112) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
PubChem CID55894112
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCC(=O)Nc2cccc(C(C)C)c2)c1
InChIInChI=1S/C21H27N3O2/c1-5-20(25)23-18-10-9-15(4)19(12-18)22-13-21(26)24-17-8-6-7-16(11-17)14(2)3/h6-12,14,22H,5,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyGNOFNCGZWJTSJW-UHFFFAOYSA-N
XLogP4.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54819153
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide
CID 43677310
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 87029088
N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
CID 55894113
N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
CID 54844965
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 55892840
N-(3-butan-2-ylphenyl)propanamide
CID 139481795
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide (CID 55894112) is N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(C)c(NCC(=O)Nc2cccc(C(C)C)c2)c1.
What is the InChIKey of N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide?
The InChIKey is GNOFNCGZWJTSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-20(25)23-18-10-9-15(4)19(12-18)22-13-21(26)24-17-8-6-7-16(11-17)14(2)3/h6-12,14,22H,5,13H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide?
N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 4.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 55894112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).