1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea

C12H26N2O3 — CID 111506608

IUPAC1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea
SMILESCCC(COC)NC(=O)NCCC(O)C(C)C
InChIInChI=1S/C12H26N2O3/c1-5-10(8-17-4)14-12(16)13-7-6-11(15)9(2)3/h9-11,15H,5-8H2,1-4H3,(H2,13,14,16)
InChIKeyGAVMAZLCTRGDHS-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.12
Rot. Bonds8

About 1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea

1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea (PubChem CID 111506608) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea
PubChem CID111506608
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea
SMILESCCC(COC)NC(=O)NCCC(O)C(C)C
InChIInChI=1S/C12H26N2O3/c1-5-10(8-17-4)14-12(16)13-7-6-11(15)9(2)3/h9-11,15H,5-8H2,1-4H3,(H2,13,14,16)
InChIKeyGAVMAZLCTRGDHS-UHFFFAOYSA-N
XLogP1.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-3-pentan-3-ylurea
CID 108888239
1-(1-methoxypentan-2-yl)-3-propylurea
CID 116656269
1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111505801
1-(1-cyanobutan-2-yl)-3-(2-methoxyethyl)urea
CID 75458286
(2S)-2-hydroxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 107837790
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
(2R)-2-amino-N-(1-methoxybutan-2-yl)-3-methylbutanamide
CID 79012417
(2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid
CID 107567087
1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea
CID 111439144
1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea
CID 106153654
1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea
CID 111439142

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea?
The IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea (CID 111506608) is 1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea.
What is the SMILES notation for 1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea?
The canonical SMILES for 1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea is CCC(COC)NC(=O)NCCC(O)C(C)C.
What is the InChIKey of 1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea?
The InChIKey is GAVMAZLCTRGDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-5-10(8-17-4)14-12(16)13-7-6-11(15)9(2)3/h9-11,15H,5-8H2,1-4H3,(H2,13,14,16).
What are the key properties of 1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea?
1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea has a molecular weight of 246.35 g/mol, XLogP of 1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea is sourced from PubChem (CID 111506608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).