2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide

C23H30N4O3 — CID 54844972

IUPAC2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NCC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)ccc1C
InChIInChI=1S/C23H30N4O3/c1-6-20(28)27-19-13-16(11-10-15(19)2)24-14-21(29)25-17-8-7-9-18(12-17)26-22(30)23(3,4)5/h7-13,24H,6,14H2,1-5H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyQRANZOHFACLFLN-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.38
Rot. Bonds7

About 2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide

2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide (PubChem CID 54844972) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
PubChem CID54844972
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NCC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)ccc1C
InChIInChI=1S/C23H30N4O3/c1-6-20(28)27-19-13-16(11-10-15(19)2)24-14-21(29)25-17-8-7-9-18(12-17)26-22(30)23(3,4)5/h7-13,24H,6,14H2,1-5H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyQRANZOHFACLFLN-UHFFFAOYSA-N
XLogP4.38
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54812945
N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54832534
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
CID 54844965
2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 31761155
N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54812623
N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844937
N-[5-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844856
N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54845657
N-(2-methoxyethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54838931

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide (CID 54844972) is 2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cc(NCC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)ccc1C.
What is the InChIKey of 2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide?
The InChIKey is QRANZOHFACLFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-6-20(28)27-19-13-16(11-10-15(19)2)24-14-21(29)25-17-8-7-9-18(12-17)26-22(30)23(3,4)5/h7-13,24H,6,14H2,1-5H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of 2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide?
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide has a molecular weight of 410.52 g/mol, XLogP of 4.38, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54844972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).