trans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C14H25NO2 — CID 99851382

IUPACtrans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCOC[C@H](C)NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C
InChIInChI=1S/C14H25NO2/c1-9(2)7-11-12(14(11,4)5)13(16)15-10(3)8-17-6/h7,10-12H,8H2,1-6H3,(H,15,16)/t10-,11+,12+/m0/s1
InChIKeyRKKDJOJSSLBGMY-QJPTWQEYSA-N
MW239.36 g/mol
LogP2.38
Rot. Bonds5

About trans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

trans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 99851382) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is trans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID99851382
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametrans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCOC[C@H](C)NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C
InChIInChI=1S/C14H25NO2/c1-9(2)7-11-12(14(11,4)5)13(16)15-10(3)8-17-6/h7,10-12H,8H2,1-6H3,(H,15,16)/t10-,11+,12+/m0/s1
InChIKeyRKKDJOJSSLBGMY-QJPTWQEYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze trans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 110887340
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 51074314
methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate
CID 94183727
cis-methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 10965156
cis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 100861081
trans-(1S,3R)-N-[(2S,4R)-4-hydroxy-2-methylpentyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 100852278
trans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 100842702
cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 677009
ethyl N-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]carbamate
CID 31339522
ethyl N-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]carbamate
CID 31339526
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 3164035
trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 38781722

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 99851382) is trans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is COC[C@H](C)NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C.
What is the InChIKey of trans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is RKKDJOJSSLBGMY-QJPTWQEYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-9(2)7-11-12(14(11,4)5)13(16)15-10(3)8-17-6/h7,10-12H,8H2,1-6H3,(H,15,16)/t10-,11+,12+/m0/s1.
What are the key properties of trans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
trans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 99851382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).