trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

C20H22N2O3 — CID 94824019

IUPACtrans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@H]2C[C@@H]2C(=O)NCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c1-25-16-9-7-15(8-10-16)17-11-18(17)20(24)22-13-19(23)21-12-14-5-3-2-4-6-14/h2-10,17-18H,11-13H2,1H3,(H,21,23)(H,22,24)/t17-,18+/m1/s1
InChIKeyYCOLKUBNVPHKFS-MSOLQXFVSA-N
MW338.41 g/mol
LogP2.23
Rot. Bonds7

About trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 94824019) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID94824019
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Nametrans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@H]2C[C@@H]2C(=O)NCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c1-25-16-9-7-15(8-10-16)17-11-18(17)20(24)22-13-19(23)21-12-14-5-3-2-4-6-14/h2-10,17-18H,11-13H2,1H3,(H,21,23)(H,22,24)/t17-,18+/m1/s1
InChIKeyYCOLKUBNVPHKFS-MSOLQXFVSA-N
XLogP2.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824020
trans-(1S,2S)-N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 38639487
N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47030850
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide
CID 95338461
cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292258
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
N-benzyl-2-(1,3-dithiolan-2-ylidene)-3-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3-oxopropanamide
CID 41000595
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 49156347
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136562
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 84563591

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 94824019) is trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc([C@H]2C[C@@H]2C(=O)NCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is YCOLKUBNVPHKFS-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-16-9-7-15(8-10-16)17-11-18(17)20(24)22-13-19(23)21-12-14-5-3-2-4-6-14/h2-10,17-18H,11-13H2,1H3,(H,21,23)(H,22,24)/t17-,18+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 94824019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).