1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea

C9H18N2O2 — CID 108910553

IUPAC1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea
SMILESCC/C=C/NC(=O)NCCCOC
InChIInChI=1S/C9H18N2O2/c1-3-4-6-10-9(12)11-7-5-8-13-2/h4,6H,3,5,7-8H2,1-2H3,(H2,10,11,12)/b6-4+
InChIKeyHVOUXDJRGYPLJX-GQCTYLIASA-N
MW186.25 g/mol
LogP1.25
Rot. Bonds6

About 1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea

1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea (PubChem CID 108910553) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea
PubChem CID108910553
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea
SMILESCC/C=C/NC(=O)NCCCOC
InChIInChI=1S/C9H18N2O2/c1-3-4-6-10-9(12)11-7-5-8-13-2/h4,6H,3,5,7-8H2,1-2H3,(H2,10,11,12)/b6-4+
InChIKeyHVOUXDJRGYPLJX-GQCTYLIASA-N
XLogP1.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108910756
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea
CID 58817776
4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid
CID 43153371
3-methoxypropylurea
CID 2064040
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(3-methoxypropyl)urea
CID 108906477
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-methoxypropyl)urea
CID 108906104
6-(3-methoxypropylcarbamoylamino)hexanoic acid
CID 61196708
4-(3-methoxypropylamino)pent-3-en-2-one
CID 139163309
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
N-(3-methoxypropyl)-3-(propylamino)propanamide
CID 109011484
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134
methyl N-(3-methoxypropyl)carbamodithioate
CID 23324215

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea?
The IUPAC name of 1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea (CID 108910553) is 1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea is CC/C=C/NC(=O)NCCCOC.
What is the InChIKey of 1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea?
The InChIKey is HVOUXDJRGYPLJX-GQCTYLIASA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-4-6-10-9(12)11-7-5-8-13-2/h4,6H,3,5,7-8H2,1-2H3,(H2,10,11,12)/b6-4+.
What are the key properties of 1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea?
1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea has a molecular weight of 186.25 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea is sourced from PubChem (CID 108910553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).