1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea

C21H26N2O2 — CID 86876554

IUPAC1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESCC(c1ccccc1)N(CC1CC1)C(=O)NC1CCCc2occc21
InChIInChI=1S/C21H26N2O2/c1-15(17-6-3-2-4-7-17)23(14-16-10-11-16)21(24)22-19-8-5-9-20-18(19)12-13-25-20/h2-4,6-7,12-13,15-16,19H,5,8-11,14H2,1H3,(H,22,24)
InChIKeyMTKMRKQHDUWCKA-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.84
Rot. Bonds5

About 1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea

1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (PubChem CID 86876554) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
PubChem CID86876554
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESCC(c1ccccc1)N(CC1CC1)C(=O)NC1CCCc2occc21
InChIInChI=1S/C21H26N2O2/c1-15(17-6-3-2-4-7-17)23(14-16-10-11-16)21(24)22-19-8-5-9-20-18(19)12-13-25-20/h2-4,6-7,12-13,15-16,19H,5,8-11,14H2,1H3,(H,22,24)
InChIKeyMTKMRKQHDUWCKA-UHFFFAOYSA-N
XLogP4.84
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea with MolForge

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Related Compounds

1-ethyl-1-[(2S)-1-methylsulfonylpropan-2-yl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 97213116
1-methyl-1-[(2-methylphenyl)methyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86927709
1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea
CID 111450422
(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 61274318
1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 941313
2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 71942327
2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
CID 61273942
1-[(4-chlorophenyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86927691
2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
CID 61273758
2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 42949896
2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 79287688
1-[2-oxo-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 60940744

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (CID 86876554) is 1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is CC(c1ccccc1)N(CC1CC1)C(=O)NC1CCCc2occc21.
What is the InChIKey of 1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The InChIKey is MTKMRKQHDUWCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(17-6-3-2-4-7-17)23(14-16-10-11-16)21(24)22-19-8-5-9-20-18(19)12-13-25-20/h2-4,6-7,12-13,15-16,19H,5,8-11,14H2,1H3,(H,22,24).
What are the key properties of 1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea has a molecular weight of 338.45 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is sourced from PubChem (CID 86876554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).