1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea

C16H22N2O3 — CID 111104043

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1Cc2ccccc2O1)NCC1(O)CCCC1
InChIInChI=1S/C16H22N2O3/c19-15(18-11-16(20)7-3-4-8-16)17-10-13-9-12-5-1-2-6-14(12)21-13/h1-2,5-6,13,20H,3-4,7-11H2,(H2,17,18,19)
InChIKeyWIJLCVBOCOLSDW-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.59
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111104043) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111104043
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1Cc2ccccc2O1)NCC1(O)CCCC1
InChIInChI=1S/C16H22N2O3/c19-15(18-11-16(20)7-3-4-8-16)17-10-13-9-12-5-1-2-6-14(12)21-13/h1-2,5-6,13,20H,3-4,7-11H2,(H2,17,18,19)
InChIKeyWIJLCVBOCOLSDW-UHFFFAOYSA-N
XLogP1.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea 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-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclobutane-1-carboxamide
CID 81172657
2-(1-aminocyclopentyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
CID 64676743
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
(2S)-4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107839616
4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107839615
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide
CID 55613114
4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)-4-oxobut-2-enoic acid
CID 76937693
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64867410
1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea
CID 97016982
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea
CID 86870911
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 51082988

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111104043) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea is O=C(NCC1Cc2ccccc2O1)NCC1(O)CCCC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is WIJLCVBOCOLSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(18-11-16(20)7-3-4-8-16)17-10-13-9-12-5-1-2-6-14(12)21-13/h1-2,5-6,13,20H,3-4,7-11H2,(H2,17,18,19).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 290.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111104043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).