1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide

C29H32N2O2 — CID 66685367

IUPAC1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)C1(c2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C29H32N2O2/c32-28(30-27(21-31-18-7-8-19-31)24-12-5-2-6-13-24)29(16-17-29)25-14-9-15-26(20-25)33-22-23-10-3-1-4-11-23/h1-6,9-15,20,27H,7-8,16-19,21-22H2,(H,30,32)
InChIKeyFBYOKGDJBPRUII-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.25
Rot. Bonds9

About 1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide

1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide (PubChem CID 66685367) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
PubChem CID66685367
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)C1(c2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C29H32N2O2/c32-28(30-27(21-31-18-7-8-19-31)24-12-5-2-6-13-24)29(16-17-29)25-14-9-15-26(20-25)33-22-23-10-3-1-4-11-23/h1-6,9-15,20,27H,7-8,16-19,21-22H2,(H,30,32)
InChIKeyFBYOKGDJBPRUII-UHFFFAOYSA-N
XLogP5.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66684992
1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 56648017
1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 66692493
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]cyclohexane-1-carboxamide
CID 66692251
1-(4-methoxyphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 56645217
N-[(1S)-1-[3-[(4-cyanophenyl)methoxy]phenyl]-2-pyrrolidin-1-ylethyl]-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
CID 56643778
2-[3-[(1S)-1-[[1-[3-(methanesulfonamido)phenyl]cyclopropanecarbonyl]amino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid
CID 66685250
1-(1H-isoindol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 158003433
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-1-pyridin-2-ylcyclopropane-1-carboxamide
CID 66692410
[4-[1-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]cyclopropyl]phenyl] methanesulfonate;hydrochloride
CID 87105945

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide (CID 66685367) is 1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide is O=C(NC(CN1CCCC1)c1ccccc1)C1(c2cccc(OCc3ccccc3)c2)CC1.
What is the InChIKey of 1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is FBYOKGDJBPRUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c32-28(30-27(21-31-18-7-8-19-31)24-12-5-2-6-13-24)29(16-17-29)25-14-9-15-26(20-25)33-22-23-10-3-1-4-11-23/h1-6,9-15,20,27H,7-8,16-19,21-22H2,(H,30,32).
What are the key properties of 1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 66685367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).