(1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide

C22H29NO3 — CID 129324944

IUPAC(1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide
SMILESCC1(C)C[C@@]2(C[C@@H]2C(=O)N(C[C@@H]2CCOC2)C2CC2)c2ccccc2O1
InChIInChI=1S/C22H29NO3/c1-21(2)14-22(17-5-3-4-6-19(17)26-21)11-18(22)20(24)23(16-7-8-16)12-15-9-10-25-13-15/h3-6,15-16,18H,7-14H2,1-2H3/t15-,18+,22-/m0/s1
InChIKeyUDPJPVHVICPVIN-REDKUUPNSA-N
MW355.48 g/mol
LogP3.53
Rot. Bonds4

About (1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide

(1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 129324944) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID129324944
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide
SMILESCC1(C)C[C@@]2(C[C@@H]2C(=O)N(C[C@@H]2CCOC2)C2CC2)c2ccccc2O1
InChIInChI=1S/C22H29NO3/c1-21(2)14-22(17-5-3-4-6-19(17)26-21)11-18(22)20(24)23(16-7-8-16)12-15-9-10-25-13-15/h3-6,15-16,18H,7-14H2,1-2H3/t15-,18+,22-/m0/s1
InChIKeyUDPJPVHVICPVIN-REDKUUPNSA-N
XLogP3.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-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 (1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide (CID 129324944) is (1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide is CC1(C)C[C@@]2(C[C@@H]2C(=O)N(C[C@@H]2CCOC2)C2CC2)c2ccccc2O1.
What is the InChIKey of (1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is UDPJPVHVICPVIN-REDKUUPNSA-N. The full InChI is InChI=1S/C22H29NO3/c1-21(2)14-22(17-5-3-4-6-19(17)26-21)11-18(22)20(24)23(16-7-8-16)12-15-9-10-25-13-15/h3-6,15-16,18H,7-14H2,1-2H3/t15-,18+,22-/m0/s1.
What are the key properties of (1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide?
(1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 129324944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).