4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide

C24H30N2O — CID 90214032

IUPAC4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3NCC3CC3)cc2)cc1
InChIInChI=1S/C24H30N2O/c1-24(2,3)19-10-6-18(7-11-19)23(27)26-20-12-8-17(9-13-20)21-14-22(21)25-15-16-4-5-16/h6-13,16,21-22,25H,4-5,14-15H2,1-3H3,(H,26,27)/t21-,22+/m0/s1
InChIKeyBJRMBYJUPWUWCO-FCHUYYIVSA-N
MW362.52 g/mol
LogP5.09
Rot. Bonds6

About 4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide

4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide (PubChem CID 90214032) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
PubChem CID90214032
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3NCC3CC3)cc2)cc1
InChIInChI=1S/C24H30N2O/c1-24(2,3)19-10-6-18(7-11-19)23(27)26-20-12-8-17(9-13-20)21-14-22(21)25-15-16-4-5-16/h6-13,16,21-22,25H,4-5,14-15H2,1-3H3,(H,26,27)/t21-,22+/m0/s1
InChIKeyBJRMBYJUPWUWCO-FCHUYYIVSA-N
XLogP5.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.09
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
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
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyridin-4-ylbenzamide
CID 90214031
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyrimidin-2-ylbenzamide
CID 90214109
4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide
CID 174857997
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
CID 118304398
1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone
CID 146685748
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylmethoxybenzamide;hydrochloride
CID 90214183

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide (CID 90214032) is 4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3NCC3CC3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide?
The InChIKey is BJRMBYJUPWUWCO-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H30N2O/c1-24(2,3)19-10-6-18(7-11-19)23(27)26-20-12-8-17(9-13-20)21-14-22(21)25-15-16-4-5-16/h6-13,16,21-22,25H,4-5,14-15H2,1-3H3,(H,26,27)/t21-,22+/m0/s1.
What are the key properties of 4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide?
4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide has a molecular weight of 362.52 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide is sourced from PubChem (CID 90214032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).