1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea

C14H28N2O3 — CID 111542826

IUPAC1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCCOC(CCNC(=O)NCC1(O)CCC1)C(C)C
InChIInChI=1S/C14H28N2O3/c1-4-19-12(11(2)3)6-9-15-13(17)16-10-14(18)7-5-8-14/h11-12,18H,4-10H2,1-3H3,(H2,15,16,17)
InChIKeyQLXYTLXVNSEBFL-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.65
Rot. Bonds8

About 1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea

1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 111542826) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID111542826
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCCOC(CCNC(=O)NCC1(O)CCC1)C(C)C
InChIInChI=1S/C14H28N2O3/c1-4-19-12(11(2)3)6-9-15-13(17)16-10-14(18)7-5-8-14/h11-12,18H,4-10H2,1-3H3,(H2,15,16,17)
InChIKeyQLXYTLXVNSEBFL-UHFFFAOYSA-N
XLogP1.65
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 110936450
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438629
2-ethoxy-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331443
1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea
CID 111426754
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104207
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea
CID 111104008
1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111542851
3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide
CID 111539695
1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea
CID 65121622
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438588
(2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide
CID 104874186
2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine
CID 111823123

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea (CID 111542826) is 1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea is CCOC(CCNC(=O)NCC1(O)CCC1)C(C)C.
What is the InChIKey of 1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is QLXYTLXVNSEBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-19-12(11(2)3)6-9-15-13(17)16-10-14(18)7-5-8-14/h11-12,18H,4-10H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 272.39 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 111542826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).