1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide

C20H22N2O2 — CID 89492554

IUPAC1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide
SMILESNC(=O)C1(N[C@H]2CC2c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C20H22N2O2/c21-19(23)20(10-11-20)22-18-12-17(18)15-6-8-16(9-7-15)24-13-14-4-2-1-3-5-14/h1-9,17-18,22H,10-13H2,(H2,21,23)/t17?,18-/m0/s1
InChIKeyVFOXIWWERBHXPW-ZVAWYAOSSA-N
MW322.41 g/mol
LogP2.73
Rot. Bonds7

About 1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide

1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide (PubChem CID 89492554) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide
PubChem CID89492554
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide
SMILESNC(=O)C1(N[C@H]2CC2c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C20H22N2O2/c21-19(23)20(10-11-20)22-18-12-17(18)15-6-8-16(9-7-15)24-13-14-4-2-1-3-5-14/h1-9,17-18,22H,10-13H2,(H2,21,23)/t17?,18-/m0/s1
InChIKeyVFOXIWWERBHXPW-ZVAWYAOSSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
CID 70907298
tert-butyl N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]carbamate
CID 101043563
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119566231
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
CID 56639915
N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine
CID 78097111
N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 119406404
6-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,2,4-triazin-3-amine
CID 66716056
5,5-dimethylhexyl N-[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]carbamate
CID 142717274
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylmethoxybenzamide;hydrochloride
CID 90214183

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide?
The IUPAC name of 1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide (CID 89492554) is 1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide is NC(=O)C1(N[C@H]2CC2c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide?
The InChIKey is VFOXIWWERBHXPW-ZVAWYAOSSA-N. The full InChI is InChI=1S/C20H22N2O2/c21-19(23)20(10-11-20)22-18-12-17(18)15-6-8-16(9-7-15)24-13-14-4-2-1-3-5-14/h1-9,17-18,22H,10-13H2,(H2,21,23)/t17?,18-/m0/s1.
What are the key properties of 1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide?
1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide is sourced from PubChem (CID 89492554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).