cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C14H25NO2 — CID 94180392

IUPACcis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCOCCCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C
InChIInChI=1S/C14H25NO2/c1-10(2)9-11-12(14(11,3)4)13(16)15-7-6-8-17-5/h9,11-12H,6-8H2,1-5H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyYSUOQZKOQNGYEQ-NEPJUHHUSA-N
MW239.36 g/mol
LogP2.38
Rot. Bonds6

About cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 94180392) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID94180392
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namecis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCOCCCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C
InChIInChI=1S/C14H25NO2/c1-10(2)9-11-12(14(11,3)4)13(16)15-7-6-8-17-5/h9,11-12H,6-8H2,1-5H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyYSUOQZKOQNGYEQ-NEPJUHHUSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 94181241
3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834806
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47014967
ethyl N-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]carbamate
CID 31339522
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 38781722
N-[(2-methoxy-4-pyridinyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18167464
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 51074314
4-(3-methoxypropylamino)pent-3-en-2-one
CID 139163309
cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 167569875
3-methoxypropylurea
CID 2064040
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 51127214

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 94180392) is cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is COCCCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C.
What is the InChIKey of cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is YSUOQZKOQNGYEQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(2)9-11-12(14(11,3)4)13(16)15-7-6-8-17-5/h9,11-12H,6-8H2,1-5H3,(H,15,16)/t11-,12+/m1/s1.
What are the key properties of cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 94180392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).