1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea

C17H17N3O4 — CID 43058742

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea
SMILESCc1occc1C(=O)NNC(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C17H17N3O4/c1-10(15-9-12-5-3-4-6-14(12)24-15)18-17(22)20-19-16(21)13-7-8-23-11(13)2/h3-10H,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyOVGLCIOFHVZHAC-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.04
Rot. Bonds3

About 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea

1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea (PubChem CID 43058742) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea
PubChem CID43058742
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea
SMILESCc1occc1C(=O)NNC(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C17H17N3O4/c1-10(15-9-12-5-3-4-6-14(12)24-15)18-17(22)20-19-16(21)13-7-8-23-11(13)2/h3-10H,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyOVGLCIOFHVZHAC-UHFFFAOYSA-N
XLogP3.04
TPSA96.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]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

2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
CID 94056544
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
CID 41095457
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437708
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437716
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea
CID 41437717
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide
CID 112811052
N-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide
CID 55728962
tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate
CID 16663836
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea
CID 41435507

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea (CID 43058742) is 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea is Cc1occc1C(=O)NNC(=O)NC(C)c1cc2ccccc2o1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea?
The InChIKey is OVGLCIOFHVZHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-10(15-9-12-5-3-4-6-14(12)24-15)18-17(22)20-19-16(21)13-7-8-23-11(13)2/h3-10H,1-2H3,(H,19,21)(H2,18,20,22).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea?
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea has a molecular weight of 327.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea is sourced from PubChem (CID 43058742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).