N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide

C21H24N2O — CID 90214289

IUPACN-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide
SMILESCc1cc(C2CC2NCC2CC2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O/c1-14-11-17(18-12-20(18)22-13-15-7-8-15)9-10-19(14)23-21(24)16-5-3-2-4-6-16/h2-6,9-11,15,18,20,22H,7-8,12-13H2,1H3,(H,23,24)
InChIKeyLHCCDLRHHJAITJ-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.10
Rot. Bonds6

About N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide

N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide (PubChem CID 90214289) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide
PubChem CID90214289
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide
SMILESCc1cc(C2CC2NCC2CC2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O/c1-14-11-17(18-12-20(18)22-13-15-7-8-15)9-10-19(14)23-21(24)16-5-3-2-4-6-16/h2-6,9-11,15,18,20,22H,7-8,12-13H2,1H3,(H,23,24)
InChIKeyLHCCDLRHHJAITJ-UHFFFAOYSA-N
XLogP4.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide
CID 174857997
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide
CID 118378754
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-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide
CID 153320706
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide
CID 90214000
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride
CID 118305065
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(dimethylamino)benzamide
CID 90214253

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide?
The IUPAC name of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide (CID 90214289) is N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide?
The canonical SMILES for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide is Cc1cc(C2CC2NCC2CC2)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide?
The InChIKey is LHCCDLRHHJAITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-14-11-17(18-12-20(18)22-13-15-7-8-15)9-10-19(14)23-21(24)16-5-3-2-4-6-16/h2-6,9-11,15,18,20,22H,7-8,12-13H2,1H3,(H,23,24).
What are the key properties of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide?
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide has a molecular weight of 320.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide is sourced from PubChem (CID 90214289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).