cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide

C19H27NO2 — CID 97329645

IUPACcis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc([C@H]2C[C@H]2C(=O)NC(C)(C)C2CCCC2)c1
InChIInChI=1S/C19H27NO2/c1-19(2,14-8-4-5-9-14)20-18(21)17-12-16(17)13-7-6-10-15(11-13)22-3/h6-7,10-11,14,16-17H,4-5,8-9,12H2,1-3H3,(H,20,21)/t16-,17-/m1/s1
InChIKeyIMXGDNFUYVYFJJ-IAGOWNOFSA-N
MW301.43 g/mol
LogP3.88
Rot. Bonds5

About cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 97329645) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID97329645
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Namecis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc([C@H]2C[C@H]2C(=O)NC(C)(C)C2CCCC2)c1
InChIInChI=1S/C19H27NO2/c1-19(2,14-8-4-5-9-14)20-18(21)17-12-16(17)13-7-6-10-15(11-13)22-3/h6-7,10-11,14,16-17H,4-5,8-9,12H2,1-3H3,(H,20,21)/t16-,17-/m1/s1
InChIKeyIMXGDNFUYVYFJJ-IAGOWNOFSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
N-[(2-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111464372
N-[(1-hydroxycycloheptyl)methyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111433093
(2S,3S)-2-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylpentanoic acid
CID 97324073
3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid
CID 75429155
trans-(1R,2R)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 124546247
trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 124546246
N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 22347517
2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020565
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111107167
2-[2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]ethylsulfanyl]acetic acid
CID 119241986
trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 95784712

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide (CID 97329645) is cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide is COc1cccc([C@H]2C[C@H]2C(=O)NC(C)(C)C2CCCC2)c1.
What is the InChIKey of cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is IMXGDNFUYVYFJJ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H27NO2/c1-19(2,14-8-4-5-9-14)20-18(21)17-12-16(17)13-7-6-10-15(11-13)22-3/h6-7,10-11,14,16-17H,4-5,8-9,12H2,1-3H3,(H,20,21)/t16-,17-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97329645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).