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

C21H27N3O2 — CID 55894113

IUPACN-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCC(=O)N(c2ccccc2)C(C)C)c1
InChIInChI=1S/C21H27N3O2/c1-5-20(25)23-17-12-11-16(4)19(13-17)22-14-21(26)24(15(2)3)18-9-7-6-8-10-18/h6-13,15,22H,5,14H2,1-4H3,(H,23,25)
InChIKeyRGNPAFXDDXJBDU-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.20
Rot. Bonds7

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

N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide (PubChem CID 55894113) 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-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
PubChem CID55894113
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCC(=O)N(c2ccccc2)C(C)C)c1
InChIInChI=1S/C21H27N3O2/c1-5-20(25)23-17-12-11-16(4)19(13-17)22-14-21(26)24(15(2)3)18-9-7-6-8-10-18/h6-13,15,22H,5,14H2,1-4H3,(H,23,25)
InChIKeyRGNPAFXDDXJBDU-UHFFFAOYSA-N
XLogP4.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-chloro-N-phenyl-N-propan-2-ylacetamide);bis(N-(3,4-dichlorophenyl)propanamide)
CID 173369864
N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844732
N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
CID 55894112
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide
CID 31773500
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 55892840
N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide
CID 43677310
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 47064079
N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 87029088
N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
CID 43677282
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide (CID 55894113) is N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(C)c(NCC(=O)N(c2ccccc2)C(C)C)c1.
What is the InChIKey of N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide?
The InChIKey is RGNPAFXDDXJBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-20(25)23-17-12-11-16(4)19(13-17)22-14-21(26)24(15(2)3)18-9-7-6-8-10-18/h6-13,15,22H,5,14H2,1-4H3,(H,23,25).
What are the key properties of N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide?
N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 55894113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).