1-(cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea

C12H24N2O2 — CID 56787603

IUPAC1-(cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea
SMILESCCC(CC)C(O)CNC(=O)NCC1CC1
InChIInChI=1S/C12H24N2O2/c1-3-10(4-2)11(15)8-14-12(16)13-7-9-5-6-9/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16)
InChIKeyMTJFROIEPKTNFQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.49
Rot. Bonds7

About 1-(cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea

1-(cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea (PubChem CID 56787603) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea
PubChem CID56787603
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea
SMILESCCC(CC)C(O)CNC(=O)NCC1CC1
InChIInChI=1S/C12H24N2O2/c1-3-10(4-2)11(15)8-14-12(16)13-7-9-5-6-9/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16)
InChIKeyMTJFROIEPKTNFQ-UHFFFAOYSA-N
XLogP1.49
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea (CID 56787603) is 1-(cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea is CCC(CC)C(O)CNC(=O)NCC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea?
The InChIKey is MTJFROIEPKTNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-10(4-2)11(15)8-14-12(16)13-7-9-5-6-9/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea?
1-(cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea has a molecular weight of 228.34 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea is sourced from PubChem (CID 56787603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).