N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide

C23H28N4O3 — CID 54833905

IUPACN-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1C
InChIInChI=1S/C23H28N4O3/c1-3-21(28)25-19-7-6-8-20(16(19)2)26-22(29)15-24-18-11-9-17(10-12-18)23(30)27-13-4-5-14-27/h6-12,24H,3-5,13-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWUTLMPWOJSJTHM-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.63
Rot. Bonds7

About N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide

N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide (PubChem CID 54833905) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
PubChem CID54833905
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1C
InChIInChI=1S/C23H28N4O3/c1-3-21(28)25-19-7-6-8-20(16(19)2)26-22(29)15-24-18-11-9-17(10-12-18)23(30)27-13-4-5-14-27/h6-12,24H,3-5,13-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWUTLMPWOJSJTHM-UHFFFAOYSA-N
XLogP3.63
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-[4-(azepane-1-carbonyl)anilino]acetyl]amino]-2-methylphenyl]propanamide
CID 54834973
N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 54841571
N-(2,3-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841651
N-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54845041
N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841570
N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835242
2-[4-(azepane-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 54834934
N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834057
2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 54835054
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 54841043
N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54839477

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide (CID 54833905) is N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1C.
What is the InChIKey of N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
The InChIKey is WUTLMPWOJSJTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-3-21(28)25-19-7-6-8-20(16(19)2)26-22(29)15-24-18-11-9-17(10-12-18)23(30)27-13-4-5-14-27/h6-12,24H,3-5,13-15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide has a molecular weight of 408.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54833905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).