N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide

C16H23N3O2 — CID 60727380

IUPACN-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C16H23N3O2/c1-11(2)10-15(20)18-12-5-7-13(8-6-12)19-16(21)14-4-3-9-17-14/h5-8,11,14,17H,3-4,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyCLMFBSUKUYLGKQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.36
Rot. Bonds5

About N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide

N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide (PubChem CID 60727380) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide
PubChem CID60727380
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C16H23N3O2/c1-11(2)10-15(20)18-12-5-7-13(8-6-12)19-16(21)14-4-3-9-17-14/h5-8,11,14,17H,3-4,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyCLMFBSUKUYLGKQ-UHFFFAOYSA-N
XLogP2.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide
CID 119703600
(2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119703628
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119280457
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide (CID 60727380) is N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide is CC(C)CC(=O)Nc1ccc(NC(=O)C2CCCN2)cc1.
What is the InChIKey of N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is CLMFBSUKUYLGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)10-15(20)18-12-5-7-13(8-6-12)19-16(21)14-4-3-9-17-14/h5-8,11,14,17H,3-4,9-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide?
N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60727380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).