1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea

C15H28N2O3 — CID 97080512

IUPAC1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
SMILESO=C(NC[C@H](O)COCC1CC1)NC1CCCCCC1
InChIInChI=1S/C15H28N2O3/c18-14(11-20-10-12-7-8-12)9-16-15(19)17-13-5-3-1-2-4-6-13/h12-14,18H,1-11H2,(H2,16,17,19)/t14-/m0/s1
InChIKeyFZKZJPCPJBFYBE-AWEZNQCLSA-N
MW284.40 g/mol
LogP1.80
Rot. Bonds7

About 1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea

1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea (PubChem CID 97080512) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
PubChem CID97080512
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
SMILESO=C(NC[C@H](O)COCC1CC1)NC1CCCCCC1
InChIInChI=1S/C15H28N2O3/c18-14(11-20-10-12-7-8-12)9-16-15(19)17-13-5-3-1-2-4-6-13/h12-14,18H,1-11H2,(H2,16,17,19)/t14-/m0/s1
InChIKeyFZKZJPCPJBFYBE-AWEZNQCLSA-N
XLogP1.80
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 55767176
1-(1-cyclohexylethylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55069456
1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63237441
3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid
CID 66167145
1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
1-(2-hydroxy-3-methoxypropyl)-3-(4-propylcyclohexyl)urea
CID 111426774
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea
CID 94801888
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea
CID 126437318
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
CID 111103394
1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea
CID 113245022
2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide
CID 97319425

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
The IUPAC name of 1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea (CID 97080512) is 1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
The canonical SMILES for 1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea is O=C(NC[C@H](O)COCC1CC1)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
The InChIKey is FZKZJPCPJBFYBE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28N2O3/c18-14(11-20-10-12-7-8-12)9-16-15(19)17-13-5-3-1-2-4-6-13/h12-14,18H,1-11H2,(H2,16,17,19)/t14-/m0/s1.
What are the key properties of 1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea has a molecular weight of 284.40 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea is sourced from PubChem (CID 97080512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).