cis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide

C26H34N2O2 — CID 7430895

IUPACcis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide
SMILESCCCC[C@@H]1C[C@H]1C(=O)Nc1cccc2c(NC(=O)[C@@H]3C[C@@H]3CCCC)cccc12
InChIInChI=1S/C26H34N2O2/c1-3-5-9-17-15-21(17)25(29)27-23-13-7-12-20-19(23)11-8-14-24(20)28-26(30)22-16-18(22)10-6-4-2/h7-8,11-14,17-18,21-22H,3-6,9-10,15-16H2,1-2H3,(H,27,29)(H,28,30)/t17-,18+,21-,22-/m1/s1
InChIKeyHILMVZXIHVVVGS-GMQQQROESA-N
MW406.57 g/mol
LogP6.37
Rot. Bonds10

About cis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide

cis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide (PubChem CID 7430895) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is cis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide
PubChem CID7430895
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Namecis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide
SMILESCCCC[C@@H]1C[C@H]1C(=O)Nc1cccc2c(NC(=O)[C@@H]3C[C@@H]3CCCC)cccc12
InChIInChI=1S/C26H34N2O2/c1-3-5-9-17-15-21(17)25(29)27-23-13-7-12-20-19(23)11-8-14-24(20)28-26(30)22-16-18(22)10-6-4-2/h7-8,11-14,17-18,21-22H,3-6,9-10,15-16H2,1-2H3,(H,27,29)(H,28,30)/t17-,18+,21-,22-/m1/s1
InChIKeyHILMVZXIHVVVGS-GMQQQROESA-N
XLogP6.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 98220206
N-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide
CID 171978642
cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide
CID 832649
N-octyl-4-[[(1R,2R)-2-octylcyclopropanecarbonyl]amino]benzamide
CID 98044630
2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131309
2-hydroxy-5-[(2-octylcyclopropanecarbonyl)amino]benzoic acid
CID 46500949
(1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99646705
2-amino-N-(2-propylphenyl)cyclopropane-1-carboxamide
CID 82239256
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CID 823443
2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131326
trans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 119066569

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide (CID 7430895) is cis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide is CCCC[C@@H]1C[C@H]1C(=O)Nc1cccc2c(NC(=O)[C@@H]3C[C@@H]3CCCC)cccc12.
What is the InChIKey of cis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide?
The InChIKey is HILMVZXIHVVVGS-GMQQQROESA-N. The full InChI is InChI=1S/C26H34N2O2/c1-3-5-9-17-15-21(17)25(29)27-23-13-7-12-20-19(23)11-8-14-24(20)28-26(30)22-16-18(22)10-6-4-2/h7-8,11-14,17-18,21-22H,3-6,9-10,15-16H2,1-2H3,(H,27,29)(H,28,30)/t17-,18+,21-,22-/m1/s1.
What are the key properties of cis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide?
cis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 6.37, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 7430895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).