1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride

C23H29ClN2O — CID 66692493

IUPAC1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1cccc(C2(C(=O)N[C@H](CN3CCCC3)c3ccccc3)CC2)c1.Cl
InChIInChI=1S/C23H28N2O.ClH/c1-18-8-7-11-20(16-18)23(12-13-23)22(26)24-21(17-25-14-5-6-15-25)19-9-3-2-4-10-19;/h2-4,7-11,16,21H,5-6,12-15,17H2,1H3,(H,24,26);1H/t21-;/m1./s1
InChIKeyKKVSVMBMXXORDK-ZMBIFBSDSA-N
MW384.95 g/mol
LogP4.40
Rot. Bonds6

About 1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride

1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 66692493) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID66692493
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC Name1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1cccc(C2(C(=O)N[C@H](CN3CCCC3)c3ccccc3)CC2)c1.Cl
InChIInChI=1S/C23H28N2O.ClH/c1-18-8-7-11-20(16-18)23(12-13-23)22(26)24-21(17-25-14-5-6-15-25)19-9-3-2-4-10-19;/h2-4,7-11,16,21H,5-6,12-15,17H2,1H3,(H,24,26);1H/t21-;/m1./s1
InChIKeyKKVSVMBMXXORDK-ZMBIFBSDSA-N
XLogP4.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane;hydrochloride
CID 157098147
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 56648017
1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66684992
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclohexane-1-carboxamide
CID 66692251
1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685367
1-(4-methoxyphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 56645217
1-[3-(methanesulfonamido)-4-methylphenyl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane
CID 159270018
1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 56646634
1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 158003433
[4-[1-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]cyclopropyl]phenyl] methanesulfonate;hydrochloride
CID 87105945
1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 56646030

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride (CID 66692493) is 1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride is Cc1cccc(C2(C(=O)N[C@H](CN3CCCC3)c3ccccc3)CC2)c1.Cl.
What is the InChIKey of 1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is KKVSVMBMXXORDK-ZMBIFBSDSA-N. The full InChI is InChI=1S/C23H28N2O.ClH/c1-18-8-7-11-20(16-18)23(12-13-23)22(26)24-21(17-25-14-5-6-15-25)19-9-3-2-4-10-19;/h2-4,7-11,16,21H,5-6,12-15,17H2,1H3,(H,24,26);1H/t21-;/m1./s1.
What are the key properties of 1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride?
1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 66692493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).