4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide

C23H34N2O2 — CID 55722351

IUPAC4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C23H34N2O2/c1-2-3-7-18-10-12-20(13-11-18)22(26)24-17-19-8-6-9-21(16-19)23(27)25-14-4-5-15-25/h6,8-9,16,18,20H,2-5,7,10-15,17H2,1H3,(H,24,26)
InChIKeyMHTSHUIVRLHKMH-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.54
Rot. Bonds7

About 4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide

4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 55722351) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID55722351
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C23H34N2O2/c1-2-3-7-18-10-12-20(13-11-18)22(26)24-17-19-8-6-9-21(16-19)23(27)25-14-4-5-15-25/h6,8-9,16,18,20H,2-5,7,10-15,17H2,1H3,(H,24,26)
InChIKeyMHTSHUIVRLHKMH-UHFFFAOYSA-N
XLogP4.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine
CID 47064925
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719111
cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 97204314
1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759304
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide
CID 145404555
3-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]methyl]benzoic acid
CID 172875964
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 55961993
2-[(2S)-oxolan-2-yl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 94130282

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide (CID 55722351) is 4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)CC1.
What is the InChIKey of 4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is MHTSHUIVRLHKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-2-3-7-18-10-12-20(13-11-18)22(26)24-17-19-8-6-9-21(16-19)23(27)25-14-4-5-15-25/h6,8-9,16,18,20H,2-5,7,10-15,17H2,1H3,(H,24,26).
What are the key properties of 4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide?
4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 55722351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).