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

C18H20N2O2 — CID 70907298

IUPAC2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
SMILESNC(=O)CN[C@H]1CC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c19-18(21)11-20-17-10-16(17)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,16-17,20H,10-12H2,(H2,19,21)/t16?,17-/m0/s1
InChIKeyWCVHARMRIYMGHX-DJNXLDHESA-N
MW296.37 g/mol
LogP2.20
Rot. Bonds7

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

2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide (PubChem CID 70907298) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide.

Molecular Properties

Compound Name2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
PubChem CID70907298
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
SMILESNC(=O)CN[C@H]1CC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c19-18(21)11-20-17-10-16(17)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,16-17,20H,10-12H2,(H2,19,21)/t16?,17-/m0/s1
InChIKeyWCVHARMRIYMGHX-DJNXLDHESA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide
CID 89492554
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
CID 56639915
6-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,2,4-triazin-3-amine
CID 66716056
2-[[[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-oxazol-5-amine
CID 56640131
3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide
CID 52918686
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylmethoxybenzamide;hydrochloride
CID 90214183
tert-butyl N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]carbamate
CID 101043563
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 78097199
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 174895535
2-(4-phenylmethoxyphenyl)-N-(1,2,4-triazin-6-ylmethyl)cyclopropan-1-amine
CID 174895166
2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine
CID 66714821

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide?
The IUPAC name of 2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide (CID 70907298) is 2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide.
What is the SMILES notation for 2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide?
The canonical SMILES for 2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide is NC(=O)CN[C@H]1CC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide?
The InChIKey is WCVHARMRIYMGHX-DJNXLDHESA-N. The full InChI is InChI=1S/C18H20N2O2/c19-18(21)11-20-17-10-16(17)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,16-17,20H,10-12H2,(H2,19,21)/t16?,17-/m0/s1.
What are the key properties of 2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide?
2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide has a molecular weight of 296.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide is sourced from PubChem (CID 70907298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).