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

C15H26N2O2 — CID 52531361

IUPACtrans-(1R,3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCCNC(=O)[C@H](C)NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C
InChIInChI=1S/C15H26N2O2/c1-7-16-13(18)10(4)17-14(19)12-11(8-9(2)3)15(12,5)6/h8,10-12H,7H2,1-6H3,(H,16,18)(H,17,19)/t10-,11-,12-/m0/s1
InChIKeyGPRUHCMBZZMOKG-SRVKXCTJSA-N
MW266.38 g/mol
LogP1.87
Rot. Bonds5

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

trans-(1R,3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 52531361) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is trans-(1R,3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID52531361
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nametrans-(1R,3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCCNC(=O)[C@H](C)NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C
InChIInChI=1S/C15H26N2O2/c1-7-16-13(18)10(4)17-14(19)12-11(8-9(2)3)15(12,5)6/h8,10-12H,7H2,1-6H3,(H,16,18)(H,17,19)/t10-,11-,12-/m0/s1
InChIKeyGPRUHCMBZZMOKG-SRVKXCTJSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(1R,3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-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

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 52531361) is trans-(1R,3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CCNC(=O)[C@H](C)NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C.
What is the InChIKey of trans-(1R,3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is GPRUHCMBZZMOKG-SRVKXCTJSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-7-16-13(18)10(4)17-14(19)12-11(8-9(2)3)15(12,5)6/h8,10-12H,7H2,1-6H3,(H,16,18)(H,17,19)/t10-,11-,12-/m0/s1.
What are the key properties of trans-(1R,3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
trans-(1R,3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 52531361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).