N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride

C20H29ClN2O — CID 90214329

IUPACN-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)C1CCCCC1
InChIInChI=1S/C20H28N2O.ClH/c23-20(16-4-2-1-3-5-16)22-17-10-8-15(9-11-17)18-12-19(18)21-13-14-6-7-14;/h8-11,14,16,18-19,21H,1-7,12-13H2,(H,22,23);1H/t18-,19+;/m0./s1
InChIKeyPCRZNXLEXDALGU-GRTNUQQKSA-N
MW348.92 g/mol
LogP4.48
Rot. Bonds6

About N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride

N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride (PubChem CID 90214329) has the molecular formula C20H29ClN2O and a molecular weight of 348.92 g/mol. Its IUPAC name is N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride
PubChem CID90214329
Molecular FormulaC20H29ClN2O
Molecular Weight348.92 g/mol
Exact Mass348.20
IUPAC NameN-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)C1CCCCC1
InChIInChI=1S/C20H28N2O.ClH/c23-20(16-4-2-1-3-5-16)22-17-10-8-15(9-11-17)18-12-19(18)21-13-14-6-7-14;/h8-11,14,16,18-19,21H,1-7,12-13H2,(H,22,23);1H/t18-,19+;/m0./s1
InChIKeyPCRZNXLEXDALGU-GRTNUQQKSA-N
XLogP4.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 54.48
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
4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214032
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide
CID 59230846
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(dimethylamino)benzamide
CID 90214253
4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride
CID 90213944
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyrimidin-2-ylbenzamide
CID 90214109
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide
CID 90214102
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride (CID 90214329) is N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride is Cl.O=C(Nc1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is PCRZNXLEXDALGU-GRTNUQQKSA-N. The full InChI is InChI=1S/C20H28N2O.ClH/c23-20(16-4-2-1-3-5-16)22-17-10-8-15(9-11-17)18-12-19(18)21-13-14-6-7-14;/h8-11,14,16,18-19,21H,1-7,12-13H2,(H,22,23);1H/t18-,19+;/m0./s1.
What are the key properties of N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride?
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 348.92 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 90214329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).