cis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide

C18H19NO3 — CID 136588702

IUPACcis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide
SMILESC[C@]1(c2ccccc2)C[C@H]1C(=O)NCc1c(O)cccc1O
InChIInChI=1S/C18H19NO3/c1-18(12-6-3-2-4-7-12)10-14(18)17(22)19-11-13-15(20)8-5-9-16(13)21/h2-9,14,20-21H,10-11H2,1H3,(H,19,22)/t14-,18+/m0/s1
InChIKeyCGVZIOBBNFKNJR-KBXCAEBGSA-N
MW297.35 g/mol
LogP2.69
Rot. Bonds4

About cis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide (PubChem CID 136588702) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide
PubChem CID136588702
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namecis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide
SMILESC[C@]1(c2ccccc2)C[C@H]1C(=O)NCc1c(O)cccc1O
InChIInChI=1S/C18H19NO3/c1-18(12-6-3-2-4-7-12)10-14(18)17(22)19-11-13-15(20)8-5-9-16(13)21/h2-9,14,20-21H,10-11H2,1H3,(H,19,22)/t14-,18+/m0/s1
InChIKeyCGVZIOBBNFKNJR-KBXCAEBGSA-N
XLogP2.69
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate
CID 7037658
trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 137207097
(1R)-N-benzyl-2,2-diphenylcyclopropane-1-carboxamide
CID 1247410
(2-hydroxy-3-methylphenyl)-[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanone
CID 139114971
(Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate
CID 11906244
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 129360078
2-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 62389548
tert-butyl N-[(2S)-1-(2-chloro-4-hydroxyphenyl)-3-[[(1R,2R)-2-methyl-2-phenylcyclopropanecarbonyl]amino]propan-2-yl]carbamate
CID 139568983
trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 102346584

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide (CID 136588702) is cis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide is C[C@]1(c2ccccc2)C[C@H]1C(=O)NCc1c(O)cccc1O.
What is the InChIKey of cis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide?
The InChIKey is CGVZIOBBNFKNJR-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H19NO3/c1-18(12-6-3-2-4-7-12)10-14(18)17(22)19-11-13-15(20)8-5-9-16(13)21/h2-9,14,20-21H,10-11H2,1H3,(H,19,22)/t14-,18+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 136588702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).