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

C22H26N4O3 — CID 54841208

IUPACN-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C22H26N4O3/c1-2-20(27)24-17-8-10-18(11-9-17)25-21(28)15-23-19-7-5-6-16(14-19)22(29)26-12-3-4-13-26/h5-11,14,23H,2-4,12-13,15H2,1H3,(H,24,27)(H,25,28)
InChIKeyAXQGTZKVXNWCBS-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.32
Rot. Bonds7

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

N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide (PubChem CID 54841208) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
PubChem CID54841208
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C22H26N4O3/c1-2-20(27)24-17-8-10-18(11-9-17)25-21(28)15-23-19-7-5-6-16(14-19)22(29)26-12-3-4-13-26/h5-11,14,23H,2-4,12-13,15H2,1H3,(H,24,27)(H,25,28)
InChIKeyAXQGTZKVXNWCBS-UHFFFAOYSA-N
XLogP3.32
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150
2-[3-(azepane-1-carbonyl)anilino]-N-(4-chlorophenyl)acetamide
CID 54841635
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843470
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843436
N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841009
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
N-ethyl-3-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54837778
N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54841798
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide (CID 54841208) is N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
The InChIKey is AXQGTZKVXNWCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-20(27)24-17-8-10-18(11-9-17)25-21(28)15-23-19-7-5-6-16(14-19)22(29)26-12-3-4-13-26/h5-11,14,23H,2-4,12-13,15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide has a molecular weight of 394.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54841208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).