1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea

C17H32N2O2 — CID 146561839

IUPAC1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea
SMILESC=C(C)COCCNC(=O)NCC1CCC(C(C)C)CC1
InChIInChI=1S/C17H32N2O2/c1-13(2)12-21-10-9-18-17(20)19-11-15-5-7-16(8-6-15)14(3)4/h14-16H,1,5-12H2,2-4H3,(H2,18,19,20)
InChIKeyJBUCTECCJVDPBU-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.34
Rot. Bonds8

About 1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea

1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea (PubChem CID 146561839) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea
PubChem CID146561839
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea
SMILESC=C(C)COCCNC(=O)NCC1CCC(C(C)C)CC1
InChIInChI=1S/C17H32N2O2/c1-13(2)12-21-10-9-18-17(20)19-11-15-5-7-16(8-6-15)14(3)4/h14-16H,1,5-12H2,2-4H3,(H2,18,19,20)
InChIKeyJBUCTECCJVDPBU-UHFFFAOYSA-N
XLogP3.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-cyclopropylethylcarbamoylamino)ethoxy]acetic acid
CID 79463822
2-cyclohexyl-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 113258414
1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 97092212
1-(2-methylcyclopentyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 71917531
3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467912
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 114467955
2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 114469505
1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115759183
methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate
CID 114469599
1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079352
N-cyclopentyl-2-[2-(2-methylprop-2-enoxy)ethylamino]propanamide
CID 114467548
4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 114469554

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea?
The IUPAC name of 1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea (CID 146561839) is 1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea?
The canonical SMILES for 1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea is C=C(C)COCCNC(=O)NCC1CCC(C(C)C)CC1.
What is the InChIKey of 1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea?
The InChIKey is JBUCTECCJVDPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(2)12-21-10-9-18-17(20)19-11-15-5-7-16(8-6-15)14(3)4/h14-16H,1,5-12H2,2-4H3,(H2,18,19,20).
What are the key properties of 1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea?
1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea has a molecular weight of 296.45 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea is sourced from PubChem (CID 146561839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).