cyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid

C22H24N2O3 — CID 90214048

IUPACcyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
SMILESCc1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3N(CC3CC3)C(=O)O)cc2)cc1
InChIInChI=1S/C22H24N2O3/c1-14-2-6-17(7-3-14)21(25)23-18-10-8-16(9-11-18)19-12-20(19)24(22(26)27)13-15-4-5-15/h2-3,6-11,15,19-20H,4-5,12-13H2,1H3,(H,23,25)(H,26,27)/t19-,20+/m0/s1
InChIKeyGKTSXMUCMHBAPY-VQTJNVASSA-N
MW364.45 g/mol
LogP4.49
Rot. Bonds6

About cyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid

cyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid (PubChem CID 90214048) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is cyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Namecyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
PubChem CID90214048
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Namecyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
SMILESCc1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3N(CC3CC3)C(=O)O)cc2)cc1
InChIInChI=1S/C22H24N2O3/c1-14-2-6-17(7-3-14)21(25)23-18-10-8-16(9-11-18)19-12-20(19)24(22(26)27)13-15-4-5-15/h2-3,6-11,15,19-20H,4-5,12-13H2,1H3,(H,23,25)(H,26,27)/t19-,20+/m0/s1
InChIKeyGKTSXMUCMHBAPY-VQTJNVASSA-N
XLogP4.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid
CID 90214357
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
cyclopropylmethyl-[(1R,2S)-2-[3-[[1-(cyclopropylmethyl)pyrazol-4-yl]carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118304410
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
4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide
CID 138461387
4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 124566433
tert-butyl N-(cyclopropylmethyl)-N-[(1R,2S)-2-[3-[(4-pyrimidin-2-ylphenyl)carbamoyl]phenyl]cyclopropyl]carbamate
CID 131743704
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(dimethylamino)benzamide
CID 90214253
4-phenyl-N-[4-(2-phenylcyclopropyl)phenyl]benzamide
CID 144638374
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

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid?
The IUPAC name of cyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid (CID 90214048) is cyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid.
What is the SMILES notation for cyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid?
The canonical SMILES for cyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid is Cc1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3N(CC3CC3)C(=O)O)cc2)cc1.
What is the InChIKey of cyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid?
The InChIKey is GKTSXMUCMHBAPY-VQTJNVASSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-2-6-17(7-3-14)21(25)23-18-10-8-16(9-11-18)19-12-20(19)24(22(26)27)13-15-4-5-15/h2-3,6-11,15,19-20H,4-5,12-13H2,1H3,(H,23,25)(H,26,27)/t19-,20+/m0/s1.
What are the key properties of cyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid?
cyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid has a molecular weight of 364.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 90214048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).