(1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxamide

C14H25NO — CID 59414659

IUPAC(1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCCNC(=O)[C@@H]1[C@@H]2[C@H]1[C@@H](C(C)C)CC[C@@H]2C
InChIInChI=1S/C14H25NO/c1-5-15-14(16)13-11-9(4)6-7-10(8(2)3)12(11)13/h8-13H,5-7H2,1-4H3,(H,15,16)/t9-,10+,11-,12+,13+/m0/s1
InChIKeySFTVAVKSPDHRRY-OBPIAQAESA-N
MW223.36 g/mol
LogP2.69
Rot. Bonds3

About (1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxamide

(1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 59414659) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxamide
PubChem CID59414659
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCCNC(=O)[C@@H]1[C@@H]2[C@H]1[C@@H](C(C)C)CC[C@@H]2C
InChIInChI=1S/C14H25NO/c1-5-15-14(16)13-11-9(4)6-7-10(8(2)3)12(11)13/h8-13H,5-7H2,1-4H3,(H,15,16)/t9-,10+,11-,12+,13+/m0/s1
InChIKeySFTVAVKSPDHRRY-OBPIAQAESA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-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 (1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxamide (CID 59414659) is (1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxamide is CCNC(=O)[C@@H]1[C@@H]2[C@H]1[C@@H](C(C)C)CC[C@@H]2C.
What is the InChIKey of (1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is SFTVAVKSPDHRRY-OBPIAQAESA-N. The full InChI is InChI=1S/C14H25NO/c1-5-15-14(16)13-11-9(4)6-7-10(8(2)3)12(11)13/h8-13H,5-7H2,1-4H3,(H,15,16)/t9-,10+,11-,12+,13+/m0/s1.
What are the key properties of (1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxamide?
(1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 223.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,6R,7R)-N-ethyl-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 59414659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).