1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea

C18H29N3O3 — CID 111426906

IUPAC1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea
SMILESO=C(NCCCCn1ccccc1=O)NCC1(O)CCCCCC1
InChIInChI=1S/C18H29N3O3/c22-16-9-3-7-13-21(16)14-8-6-12-19-17(23)20-15-18(24)10-4-1-2-5-11-18/h3,7,9,13,24H,1-2,4-6,8,10-12,14-15H2,(H2,19,20,23)
InChIKeyWTYUFFPFFPKXRQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.01
Rot. Bonds7

About 1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea

1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea (PubChem CID 111426906) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea
PubChem CID111426906
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea
SMILESO=C(NCCCCn1ccccc1=O)NCC1(O)CCCCCC1
InChIInChI=1S/C18H29N3O3/c22-16-9-3-7-13-21(16)14-8-6-12-19-17(23)20-15-18(24)10-4-1-2-5-11-18/h3,7,9,13,24H,1-2,4-6,8,10-12,14-15H2,(H2,19,20,23)
InChIKeyWTYUFFPFFPKXRQ-UHFFFAOYSA-N
XLogP2.01
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 111445552
1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 111507214
1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111338596
N-[(1-hydroxycycloheptyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 111433258
N,N-dimethyl-1-[[[N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111571896
2-(cyclobutylmethyl)-1-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111083567
4-[(1-hydroxycycloheptyl)methylcarbamoylamino]butanoic acid
CID 122023208
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 110936506
1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea
CID 166262712
2-(cyclobutylmethyl)-1-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111083566
1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 111426876
1-[(1-hydroxycycloheptyl)methyl]-3-(4-methylsulfanylbutyl)urea
CID 111435245

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea?
The IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea (CID 111426906) is 1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea.
What is the SMILES notation for 1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea?
The canonical SMILES for 1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea is O=C(NCCCCn1ccccc1=O)NCC1(O)CCCCCC1.
What is the InChIKey of 1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea?
The InChIKey is WTYUFFPFFPKXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c22-16-9-3-7-13-21(16)14-8-6-12-19-17(23)20-15-18(24)10-4-1-2-5-11-18/h3,7,9,13,24H,1-2,4-6,8,10-12,14-15H2,(H2,19,20,23).
What are the key properties of 1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea?
1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea has a molecular weight of 335.45 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea is sourced from PubChem (CID 111426906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).