1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea

C16H17N3O4 — CID 36873362

IUPAC1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
SMILESO=C(NNC(=O)c1ccc(COc2ccccc2)o1)NC1CC1
InChIInChI=1S/C16H17N3O4/c20-15(18-19-16(21)17-11-6-7-11)14-9-8-13(23-14)10-22-12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10H2,(H,18,20)(H2,17,19,21)
InChIKeyOBBLZVVSBWWLRX-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.97
Rot. Bonds5

About 1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea

1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea (PubChem CID 36873362) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
PubChem CID36873362
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
SMILESO=C(NNC(=O)c1ccc(COc2ccccc2)o1)NC1CC1
InChIInChI=1S/C16H17N3O4/c20-15(18-19-16(21)17-11-6-7-11)14-9-8-13(23-14)10-22-12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10H2,(H,18,20)(H2,17,19,21)
InChIKeyOBBLZVVSBWWLRX-UHFFFAOYSA-N
XLogP1.97
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
N-[4-(cyclopropylcarbamoyl)phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 46584687
N-cyclopropyl-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455418
N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446522
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 31462340
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N-cycloheptyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461005

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea?
The IUPAC name of 1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea (CID 36873362) is 1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea.
What is the SMILES notation for 1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea?
The canonical SMILES for 1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea is O=C(NNC(=O)c1ccc(COc2ccccc2)o1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea?
The InChIKey is OBBLZVVSBWWLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-15(18-19-16(21)17-11-6-7-11)14-9-8-13(23-14)10-22-12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10H2,(H,18,20)(H2,17,19,21).
What are the key properties of 1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea?
1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea has a molecular weight of 315.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea is sourced from PubChem (CID 36873362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).