1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone

C31H35NO — CID 146685748

IUPAC1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone
SMILESCC(C)(C)c1ccc(-c2ccc(C(=O)Cc3ccc(C4CC4NCC4CC4)cc3)cc2)cc1
InChIInChI=1S/C31H35NO/c1-31(2,3)27-16-14-24(15-17-27)23-10-12-26(13-11-23)30(33)18-21-6-8-25(9-7-21)28-19-29(28)32-20-22-4-5-22/h6-17,22,28-29,32H,4-5,18-20H2,1-3H3
InChIKeyPONZRILQPBDIHS-UHFFFAOYSA-N
MW437.63 g/mol
LogP6.93
Rot. Bonds8

About 1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone

1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone (PubChem CID 146685748) has the molecular formula C31H35NO and a molecular weight of 437.63 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone
PubChem CID146685748
Molecular FormulaC31H35NO
Molecular Weight437.63 g/mol
Exact Mass437.27
IUPAC Name1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone
SMILESCC(C)(C)c1ccc(-c2ccc(C(=O)Cc3ccc(C4CC4NCC4CC4)cc3)cc2)cc1
InChIInChI=1S/C31H35NO/c1-31(2,3)27-16-14-24(15-17-27)23-10-12-26(13-11-23)30(33)18-21-6-8-25(9-7-21)28-19-29(28)32-20-22-4-5-22/h6-17,22,28-29,32H,4-5,18-20H2,1-3H3
InChIKeyPONZRILQPBDIHS-UHFFFAOYSA-N
XLogP6.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone with MolForge

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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
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 158404708
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 147385528
4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide
CID 174857997
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyridin-4-ylbenzamide
CID 90214031
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride
CID 90214229
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone
CID 160904336
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone
CID 159581061
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone?
The IUPAC name of 1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone (CID 146685748) is 1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone?
The canonical SMILES for 1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone is CC(C)(C)c1ccc(-c2ccc(C(=O)Cc3ccc(C4CC4NCC4CC4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone?
The InChIKey is PONZRILQPBDIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35NO/c1-31(2,3)27-16-14-24(15-17-27)23-10-12-26(13-11-23)30(33)18-21-6-8-25(9-7-21)28-19-29(28)32-20-22-4-5-22/h6-17,22,28-29,32H,4-5,18-20H2,1-3H3.
What are the key properties of 1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone?
1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone has a molecular weight of 437.63 g/mol, XLogP of 6.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone is sourced from PubChem (CID 146685748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).