1-(1-methoxypentan-2-yl)-3-propylurea

C10H22N2O2 — CID 116656269

IUPAC1-(1-methoxypentan-2-yl)-3-propylurea
SMILESCCCNC(=O)NC(CCC)COC
InChIInChI=1S/C10H22N2O2/c1-4-6-9(8-14-3)12-10(13)11-7-5-2/h9H,4-8H2,1-3H3,(H2,11,12,13)
InChIKeyXJBZQHQVNLHMAZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.51
Rot. Bonds7

About 1-(1-methoxypentan-2-yl)-3-propylurea

1-(1-methoxypentan-2-yl)-3-propylurea (PubChem CID 116656269) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(1-methoxypentan-2-yl)-3-propylurea.

Molecular Properties

Compound Name1-(1-methoxypentan-2-yl)-3-propylurea
PubChem CID116656269
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-(1-methoxypentan-2-yl)-3-propylurea
SMILESCCCNC(=O)NC(CCC)COC
InChIInChI=1S/C10H22N2O2/c1-4-6-9(8-14-3)12-10(13)11-7-5-2/h9H,4-8H2,1-3H3,(H2,11,12,13)
InChIKeyXJBZQHQVNLHMAZ-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea
CID 106153654
ethyl N-(1-methoxypentan-2-yl)carbamate
CID 64590516
1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea
CID 111506608
1-(2-methoxyethyl)-3-pentan-3-ylurea
CID 108888239
1-heptan-4-yl-3-pentylurea
CID 123857321
2-hydroxy-N-(1-methoxypentan-2-yl)-2-methylpropanamide
CID 103430087
N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide
CID 107030746
1-butyl-3-hexan-3-ylurea
CID 115596662
N-(1-methoxypentan-2-yl)-2-propoxyacetamide
CID 107941725
(2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide
CID 79023147
1-[(2S)-1-hydroxybutan-2-yl]-3-propylurea
CID 104981803

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypentan-2-yl)-3-propylurea?
The IUPAC name of 1-(1-methoxypentan-2-yl)-3-propylurea (CID 116656269) is 1-(1-methoxypentan-2-yl)-3-propylurea.
What is the SMILES notation for 1-(1-methoxypentan-2-yl)-3-propylurea?
The canonical SMILES for 1-(1-methoxypentan-2-yl)-3-propylurea is CCCNC(=O)NC(CCC)COC.
What is the InChIKey of 1-(1-methoxypentan-2-yl)-3-propylurea?
The InChIKey is XJBZQHQVNLHMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-6-9(8-14-3)12-10(13)11-7-5-2/h9H,4-8H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-(1-methoxypentan-2-yl)-3-propylurea?
1-(1-methoxypentan-2-yl)-3-propylurea has a molecular weight of 202.30 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypentan-2-yl)-3-propylurea is sourced from PubChem (CID 116656269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).