N-cyclopentyl-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide

C21H30N2O2 — CID 118305123

IUPACN-cyclopentyl-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide
SMILESO=C(NC1CCCC1)c1cccc(C2CC2NCC2CCOCC2)c1
InChIInChI=1S/C21H30N2O2/c24-21(23-18-6-1-2-7-18)17-5-3-4-16(12-17)19-13-20(19)22-14-15-8-10-25-11-9-15/h3-5,12,15,18-20,22H,1-2,6-11,13-14H2,(H,23,24)
InChIKeyYOUVNAVXAFTFLJ-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.23
Rot. Bonds6

About N-cyclopentyl-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide

N-cyclopentyl-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide (PubChem CID 118305123) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide
PubChem CID118305123
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-cyclopentyl-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide
SMILESO=C(NC1CCCC1)c1cccc(C2CC2NCC2CCOCC2)c1
InChIInChI=1S/C21H30N2O2/c24-21(23-18-6-1-2-7-18)17-5-3-4-16(12-17)19-13-20(19)22-14-15-8-10-25-11-9-15/h3-5,12,15,18-20,22H,1-2,6-11,13-14H2,(H,23,24)
InChIKeyYOUVNAVXAFTFLJ-UHFFFAOYSA-N
XLogP3.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
CID 24856363
Sdccggsk-0000288.P001
CID 44578255
N3-cyclopropyl-N4'-(cyclopropylmethyl)-5,6-dimethyl-1,1'-biphenyl-3,4'-dicarboxamide
CID 44479930
4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide
CID 118304450
N-((1R)-1-(Methoxymethyl)-3-methylbutyl)-3,4-dimethylbenzamide
CID 57527964
6-Methyl-biphenyl-3,4''-dicarboxylic acid 3-cyclopentylamide 4''-cyclopropylmethyl-amide
CID 44578252
Sdccggsk-0000069.P001
CID 44578253
Sdccggsk-0000085.P001
CID 44578254
6-Fluoro-biphenyl-3,4''-dicarboxylic acid 3-cyclopropylamide 4''-cyclopropylmethyl-amide
CID 44578566
3-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]benzamide
CID 145990271
N-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 1072769
2-cyclopropyl-N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
CID 53310759

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide?
The IUPAC name of N-cyclopentyl-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide (CID 118305123) is N-cyclopentyl-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide?
The canonical SMILES for N-cyclopentyl-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide is O=C(NC1CCCC1)c1cccc(C2CC2NCC2CCOCC2)c1.
What is the InChIKey of N-cyclopentyl-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide?
The InChIKey is YOUVNAVXAFTFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-21(23-18-6-1-2-7-18)17-5-3-4-16(12-17)19-13-20(19)22-14-15-8-10-25-11-9-15/h3-5,12,15,18-20,22H,1-2,6-11,13-14H2,(H,23,24).
What are the key properties of N-cyclopentyl-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide?
N-cyclopentyl-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide has a molecular weight of 342.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide is sourced from PubChem (CID 118305123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).