1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea

C13H26N2O2 — CID 95908884

IUPAC1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea
SMILESCC(C)C[C@H](CCO)CNC(=O)NCC1CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)7-12(5-6-16)9-15-13(17)14-8-11-3-4-11/h10-12,16H,3-9H2,1-2H3,(H2,14,15,17)/t12-/m0/s1
InChIKeyGGDCKADHNOYVBF-LBPRGKRZSA-N
MW242.36 g/mol
LogP1.74
Rot. Bonds8

About 1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea

1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea (PubChem CID 95908884) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea
PubChem CID95908884
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea
SMILESCC(C)C[C@H](CCO)CNC(=O)NCC1CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)7-12(5-6-16)9-15-13(17)14-8-11-3-4-11/h10-12,16H,3-9H2,1-2H3,(H2,14,15,17)/t12-/m0/s1
InChIKeyGGDCKADHNOYVBF-LBPRGKRZSA-N
XLogP1.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea (CID 95908884) is 1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea is CC(C)C[C@H](CCO)CNC(=O)NCC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea?
The InChIKey is GGDCKADHNOYVBF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)7-12(5-6-16)9-15-13(17)14-8-11-3-4-11/h10-12,16H,3-9H2,1-2H3,(H2,14,15,17)/t12-/m0/s1.
What are the key properties of 1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea?
1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea has a molecular weight of 242.36 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea is sourced from PubChem (CID 95908884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).