1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea

C15H25N3O3 — CID 47018404

IUPAC1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea
SMILESCCCCCC(C)NC(=O)NNC(=O)c1cc(C)oc1C
InChIInChI=1S/C15H25N3O3/c1-5-6-7-8-10(2)16-15(20)18-17-14(19)13-9-11(3)21-12(13)4/h9-10H,5-8H2,1-4H3,(H,17,19)(H2,16,18,20)
InChIKeyHXXHCARSSREZIS-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.81
Rot. Bonds6

About 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea

1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea (PubChem CID 47018404) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea.

Molecular Properties

Compound Name1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea
PubChem CID47018404
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea
SMILESCCCCCC(C)NC(=O)NNC(=O)c1cc(C)oc1C
InChIInChI=1S/C15H25N3O3/c1-5-6-7-8-10(2)16-15(20)18-17-14(19)13-9-11(3)21-12(13)4/h9-10H,5-8H2,1-4H3,(H,17,19)(H2,16,18,20)
InChIKeyHXXHCARSSREZIS-UHFFFAOYSA-N
XLogP2.81
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(2-ethylhexyl)urea
CID 42954143
ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 61343316
2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
CID 18712127
1-[1-(3,4-difluorophenyl)ethyl]-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea
CID 134008884
N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 94815752
1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea
CID 134006560
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 9468147
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide
CID 55824302
N-(5-bromo-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 106157282

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea?
The IUPAC name of 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea (CID 47018404) is 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea.
What is the SMILES notation for 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea?
The canonical SMILES for 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea is CCCCCC(C)NC(=O)NNC(=O)c1cc(C)oc1C.
What is the InChIKey of 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea?
The InChIKey is HXXHCARSSREZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-5-6-7-8-10(2)16-15(20)18-17-14(19)13-9-11(3)21-12(13)4/h9-10H,5-8H2,1-4H3,(H,17,19)(H2,16,18,20).
What are the key properties of 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea?
1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea has a molecular weight of 295.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea is sourced from PubChem (CID 47018404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).