1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea

C12H23N3O2 — CID 129169041

IUPAC1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea
SMILESC=C(C)ONCNC(=O)N(CC)CC1CCC1
InChIInChI=1S/C12H23N3O2/c1-4-15(8-11-6-5-7-11)12(16)13-9-14-17-10(2)3/h11,14H,2,4-9H2,1,3H3,(H,13,16)
InChIKeyJBAJWQKNLWMHBU-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.83
Rot. Bonds7

About 1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea

1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea (PubChem CID 129169041) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea
PubChem CID129169041
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea
SMILESC=C(C)ONCNC(=O)N(CC)CC1CCC1
InChIInChI=1S/C12H23N3O2/c1-4-15(8-11-6-5-7-11)12(16)13-9-14-17-10(2)3/h11,14H,2,4-9H2,1,3H3,(H,13,16)
InChIKeyJBAJWQKNLWMHBU-UHFFFAOYSA-N
XLogP1.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea
CID 86940440
4-[[[cyclobutylmethyl(ethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107400130
2-[[[cyclobutylmethyl(ethyl)carbamoyl]amino]methyl]butanoic acid
CID 107400099
1-(cyclopropylmethyl)-1-ethyl-3-propylurea
CID 115622668
N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide
CID 23534016
3-[[[cyclobutylmethyl(ethyl)carbamoyl]amino]methyl]-5-methylhexanoic acid
CID 107400095
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-methylpropanamide
CID 107398375
4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107400206
1,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629944
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pent-4-enoic acid
CID 107400107
N-(cyclobutylmethyl)-N-ethyl-2,2,3,3,3-pentafluoropropanamide
CID 114038274
(2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107567865

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea?
The IUPAC name of 1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea (CID 129169041) is 1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea?
The canonical SMILES for 1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea is C=C(C)ONCNC(=O)N(CC)CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea?
The InChIKey is JBAJWQKNLWMHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-15(8-11-6-5-7-11)12(16)13-9-14-17-10(2)3/h11,14H,2,4-9H2,1,3H3,(H,13,16).
What are the key properties of 1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea?
1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea has a molecular weight of 241.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea is sourced from PubChem (CID 129169041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).