cis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C15H27NO3 — CID 100861081

IUPACcis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCOC[C@H](O)CN(C)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C
InChIInChI=1S/C15H27NO3/c1-10(2)7-12-13(15(12,3)4)14(18)16(5)8-11(17)9-19-6/h7,11-13,17H,8-9H2,1-6H3/t11-,12-,13+/m1/s1
InChIKeyQETTVGUHJAECPR-UPJWGTAASA-N
MW269.38 g/mol
LogP1.69
Rot. Bonds6

About cis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

cis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 100861081) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is cis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID100861081
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namecis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCOC[C@H](O)CN(C)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C
InChIInChI=1S/C15H27NO3/c1-10(2)7-12-13(15(12,3)4)14(18)16(5)8-11(17)9-19-6/h7,11-13,17H,8-9H2,1-6H3/t11-,12-,13+/m1/s1
InChIKeyQETTVGUHJAECPR-UPJWGTAASA-N
XLogP1.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 100861081) is cis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is COC[C@H](O)CN(C)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C.
What is the InChIKey of cis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is QETTVGUHJAECPR-UPJWGTAASA-N. The full InChI is InChI=1S/C15H27NO3/c1-10(2)7-12-13(15(12,3)4)14(18)16(5)8-11(17)9-19-6/h7,11-13,17H,8-9H2,1-6H3/t11-,12-,13+/m1/s1.
What are the key properties of cis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
cis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 269.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-N-[(2R)-2-hydroxy-3-methoxypropyl]-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 100861081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).