2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide

C21H24N4O3 — CID 54809150

IUPAC2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C21H24N4O3/c1-15(26)23-18-9-7-17(8-10-18)22-14-20(27)24-19-6-4-5-16(13-19)21(28)25-11-2-3-12-25/h4-10,13,22H,2-3,11-12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyAXSBMBLQOXQKOE-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.93
Rot. Bonds6

About 2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 54809150) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID54809150
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C21H24N4O3/c1-15(26)23-18-9-7-17(8-10-18)22-14-20(27)24-19-6-4-5-16(13-19)21(28)25-11-2-3-12-25/h4-10,13,22H,2-3,11-12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyAXSBMBLQOXQKOE-UHFFFAOYSA-N
XLogP2.93
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-bromoanilino)acetamide
CID 54810997
N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54840746
2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54812026
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839148
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
2-[3-(azepane-1-carbonyl)anilino]-N-(4-chlorophenyl)acetamide
CID 54841635
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 54809150) is 2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is AXSBMBLQOXQKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15(26)23-18-9-7-17(8-10-18)22-14-20(27)24-19-6-4-5-16(13-19)21(28)25-11-2-3-12-25/h4-10,13,22H,2-3,11-12,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54809150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).