N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide

C16H23N3O2 — CID 63141667

IUPACN-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cccc(C(=O)NC)c2)CCNC1
InChIInChI=1S/C16H23N3O2/c1-3-7-16(8-9-18-11-16)15(21)19-13-6-4-5-12(10-13)14(20)17-2/h4-6,10,18H,3,7-9,11H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyLFPHSLRKYXBHRU-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.76
Rot. Bonds5

About N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide

N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 63141667) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide
PubChem CID63141667
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cccc(C(=O)NC)c2)CCNC1
InChIInChI=1S/C16H23N3O2/c1-3-7-16(8-9-18-11-16)15(21)19-13-6-4-5-12(10-13)14(20)17-2/h4-6,10,18H,3,7-9,11H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyLFPHSLRKYXBHRU-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
N-(3-ethynylphenyl)-3-propylpiperidine-3-carboxamide
CID 63132227
N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63141613
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139068
3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131356
N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141619
N-(2,3-dihydro-1-benzofuran-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63140119
3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide
CID 81172976
3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63138545
N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide
CID 102656067

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide (CID 63141667) is N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2cccc(C(=O)NC)c2)CCNC1.
What is the InChIKey of N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is LFPHSLRKYXBHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-7-16(8-9-18-11-16)15(21)19-13-6-4-5-12(10-13)14(20)17-2/h4-6,10,18H,3,7-9,11H2,1-2H3,(H,17,20)(H,19,21).
What are the key properties of N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide?
N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63141667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).