1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea

C19H27N3O2 — CID 71920773

IUPAC1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
SMILESCN(CCNC(=O)NC1CC2(CCC2)Oc2ccccc21)C1CC1
InChIInChI=1S/C19H27N3O2/c1-22(14-7-8-14)12-11-20-18(23)21-16-13-19(9-4-10-19)24-17-6-3-2-5-15(16)17/h2-3,5-6,14,16H,4,7-13H2,1H3,(H2,20,21,23)
InChIKeyGFEPQEGXNZSVKN-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.83
Rot. Bonds5

About 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea

1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea (PubChem CID 71920773) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
PubChem CID71920773
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
SMILESCN(CCNC(=O)NC1CC2(CCC2)Oc2ccccc21)C1CC1
InChIInChI=1S/C19H27N3O2/c1-22(14-7-8-14)12-11-20-18(23)21-16-13-19(9-4-10-19)24-17-6-3-2-5-15(16)17/h2-3,5-6,14,16H,4,7-13H2,1H3,(H2,20,21,23)
InChIKeyGFEPQEGXNZSVKN-UHFFFAOYSA-N
XLogP2.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea 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

1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
CID 126468272
1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
CID 71915122
1-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea
CID 97227745
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea
CID 97223973
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
CID 75379330
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea
CID 97223623
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea
CID 110866006
1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-3-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea
CID 137148253
1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea
CID 137148252
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea (CID 71920773) is 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea is CN(CCNC(=O)NC1CC2(CCC2)Oc2ccccc21)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea?
The InChIKey is GFEPQEGXNZSVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-22(14-7-8-14)12-11-20-18(23)21-16-13-19(9-4-10-19)24-17-6-3-2-5-15(16)17/h2-3,5-6,14,16H,4,7-13H2,1H3,(H2,20,21,23).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea?
1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea has a molecular weight of 329.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea is sourced from PubChem (CID 71920773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).