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

C23H28N4O3 — CID 54834226

IUPACN-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C23H28N4O3/c1-2-6-21(28)25-19-7-5-8-20(15-19)26-22(29)16-24-18-11-9-17(10-12-18)23(30)27-13-3-4-14-27/h5,7-12,15,24H,2-4,6,13-14,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyNBTCCLMQYPHECD-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.71
Rot. Bonds8

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

N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide (PubChem CID 54834226) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
PubChem CID54834226
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C23H28N4O3/c1-2-6-21(28)25-19-7-5-8-20(15-19)26-22(29)16-24-18-11-9-17(10-12-18)23(30)27-13-3-4-14-27/h5,7-12,15,24H,2-4,6,13-14,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyNBTCCLMQYPHECD-UHFFFAOYSA-N
XLogP3.71
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878
N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834192
N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839148
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
CID 54841375
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836996
2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834127
N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837346
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
N-ethyl-3-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54837778
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide (CID 54834226) is N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1.
What is the InChIKey of N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide?
The InChIKey is NBTCCLMQYPHECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-2-6-21(28)25-19-7-5-8-20(15-19)26-22(29)16-24-18-11-9-17(10-12-18)23(30)27-13-3-4-14-27/h5,7-12,15,24H,2-4,6,13-14,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide?
N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide has a molecular weight of 408.50 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54834226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).