4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide

C15H20N2O — CID 174857997

IUPAC4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C2CC2NCC2CC2)cc1
InChIInChI=1S/C15H20N2O/c1-16-15(18)12-6-4-11(5-7-12)13-8-14(13)17-9-10-2-3-10/h4-7,10,13-14,17H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyLVSYFYXJLXZOMS-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.90
Rot. Bonds5

About 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide

4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide (PubChem CID 174857997) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide
PubChem CID174857997
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C2CC2NCC2CC2)cc1
InChIInChI=1S/C15H20N2O/c1-16-15(18)12-6-4-11(5-7-12)13-8-14(13)17-9-10-2-3-10/h4-7,10,13-14,17H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyLVSYFYXJLXZOMS-UHFFFAOYSA-N
XLogP1.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214029
4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214032
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(dimethylamino)benzamide
CID 90214253
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
CID 118304398
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyridin-4-ylbenzamide
CID 90214031
[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone
CID 171343910
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyrimidin-2-ylbenzamide
CID 90214109
1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone
CID 146685748
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide
CID 118378754

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide?
The IUPAC name of 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide (CID 174857997) is 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide.
What is the SMILES notation for 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide?
The canonical SMILES for 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide is CNC(=O)c1ccc(C2CC2NCC2CC2)cc1.
What is the InChIKey of 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide?
The InChIKey is LVSYFYXJLXZOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-15(18)12-6-4-11(5-7-12)13-8-14(13)17-9-10-2-3-10/h4-7,10,13-14,17H,2-3,8-9H2,1H3,(H,16,18).
What are the key properties of 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide?
4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide has a molecular weight of 244.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide is sourced from PubChem (CID 174857997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).