cis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C19H28N2O3 — CID 94805916

IUPACcis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(C[C@H](C)N(C)C(=O)CCNC(=O)[C@H]2C[C@H]2C)cc1
InChIInChI=1S/C19H28N2O3/c1-13-11-17(13)19(23)20-10-9-18(22)21(3)14(2)12-15-5-7-16(24-4)8-6-15/h5-8,13-14,17H,9-12H2,1-4H3,(H,20,23)/t13-,14+,17+/m1/s1
InChIKeyDBSGNPMYCYLTNL-KEYYUXOJSA-N
MW332.44 g/mol
LogP2.25
Rot. Bonds8

About cis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 94805916) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is cis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID94805916
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namecis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(C[C@H](C)N(C)C(=O)CCNC(=O)[C@H]2C[C@H]2C)cc1
InChIInChI=1S/C19H28N2O3/c1-13-11-17(13)19(23)20-10-9-18(22)21(3)14(2)12-15-5-7-16(24-4)8-6-15/h5-8,13-14,17H,9-12H2,1-4H3,(H,20,23)/t13-,14+,17+/m1/s1
InChIKeyDBSGNPMYCYLTNL-KEYYUXOJSA-N
XLogP2.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
trans-(1R,2R)-N-[3-[(3-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39910906
cis-(1R,2S)-N-[3-[(3-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39910904
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131447
(2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 95291104
trans-(1R,2R)-2-[[(3R)-3-(4-methoxyphenyl)butyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132736
2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109131241
3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea
CID 52510628
cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94178640
trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158
N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
CID 115706324
1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139937

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 94805916) is cis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is COc1ccc(C[C@H](C)N(C)C(=O)CCNC(=O)[C@H]2C[C@H]2C)cc1.
What is the InChIKey of cis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is DBSGNPMYCYLTNL-KEYYUXOJSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-11-17(13)19(23)20-10-9-18(22)21(3)14(2)12-15-5-7-16(24-4)8-6-15/h5-8,13-14,17H,9-12H2,1-4H3,(H,20,23)/t13-,14+,17+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 94805916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).