N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide

C19H28N4O2 — CID 119848878

IUPACN-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(CN1CCCCCC1)Nc1ccc(NC(=O)C2CCNC2)cc1
InChIInChI=1S/C19H28N4O2/c24-18(14-23-11-3-1-2-4-12-23)21-16-5-7-17(8-6-16)22-19(25)15-9-10-20-13-15/h5-8,15,20H,1-4,9-14H2,(H,21,24)(H,22,25)
InChIKeyUTCVSPFUEJXQFR-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.05
Rot. Bonds5

About N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide

N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide (PubChem CID 119848878) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide
PubChem CID119848878
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(CN1CCCCCC1)Nc1ccc(NC(=O)C2CCNC2)cc1
InChIInChI=1S/C19H28N4O2/c24-18(14-23-11-3-1-2-4-12-23)21-16-5-7-17(8-6-16)22-19(25)15-9-10-20-13-15/h5-8,15,20H,1-4,9-14H2,(H,21,24)(H,22,25)
InChIKeyUTCVSPFUEJXQFR-UHFFFAOYSA-N
XLogP2.05
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 154915036
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119871140
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide
CID 54773502
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844976
N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119840821

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide (CID 119848878) is N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide is O=C(CN1CCCCCC1)Nc1ccc(NC(=O)C2CCNC2)cc1.
What is the InChIKey of N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is UTCVSPFUEJXQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-18(14-23-11-3-1-2-4-12-23)21-16-5-7-17(8-6-16)22-19(25)15-9-10-20-13-15/h5-8,15,20H,1-4,9-14H2,(H,21,24)(H,22,25).
What are the key properties of N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide?
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119848878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).