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

C20H28N2O3 — CID 71915122

IUPAC1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
SMILESCOCCC1(CNC(=O)NC2CC3(CCC3)Oc3ccccc32)CC1
InChIInChI=1S/C20H28N2O3/c1-24-12-11-19(9-10-19)14-21-18(23)22-16-13-20(7-4-8-20)25-17-6-3-2-5-15(16)17/h2-3,5-6,16H,4,7-14H2,1H3,(H2,21,22,23)
InChIKeyHXMMUKHNDJKGHD-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.55
Rot. Bonds6

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

1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea (PubChem CID 71915122) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
PubChem CID71915122
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
SMILESCOCCC1(CNC(=O)NC2CC3(CCC3)Oc3ccccc32)CC1
InChIInChI=1S/C20H28N2O3/c1-24-12-11-19(9-10-19)14-21-18(23)22-16-13-20(7-4-8-20)25-17-6-3-2-5-15(16)17/h2-3,5-6,16H,4,7-14H2,1H3,(H2,21,22,23)
InChIKeyHXMMUKHNDJKGHD-UHFFFAOYSA-N
XLogP3.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
CID 126468272
1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
CID 71920773
1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea
CID 100746880
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
2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133224868
1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793976
2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpentanamide;hydrochloride
CID 119815681
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
1-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea
CID 97227745
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-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea?
The IUPAC name of 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea (CID 71915122) is 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea?
The canonical SMILES for 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea is COCCC1(CNC(=O)NC2CC3(CCC3)Oc3ccccc32)CC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea?
The InChIKey is HXMMUKHNDJKGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-24-12-11-19(9-10-19)14-21-18(23)22-16-13-20(7-4-8-20)25-17-6-3-2-5-15(16)17/h2-3,5-6,16H,4,7-14H2,1H3,(H2,21,22,23).
What are the key properties of 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea?
1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea has a molecular weight of 344.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea is sourced from PubChem (CID 71915122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).