1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea

C12H24N2O3 — CID 111439144

IUPAC1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea
SMILESCCC(COC)NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C12H24N2O3/c1-3-10(8-17-2)14-11(15)13-9-12(16)6-4-5-7-12/h10,16H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyYBLYXBMMQHQXMQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.02
Rot. Bonds6

About 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea

1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea (PubChem CID 111439144) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea
PubChem CID111439144
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea
SMILESCCC(COC)NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C12H24N2O3/c1-3-10(8-17-2)14-11(15)13-9-12(16)6-4-5-7-12/h10,16H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyYBLYXBMMQHQXMQ-UHFFFAOYSA-N
XLogP1.02
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea
CID 111439142
2-(1-aminocyclopentyl)-N-(1-methoxybutan-2-yl)acetamide
CID 64677485
1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol
CID 106190470
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
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096
1-[(2R)-1-methoxypropan-2-yl]-3-[(1-propylcyclopropyl)methyl]urea
CID 97098099
N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide
CID 111539886
1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea
CID 111506608
1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
CID 71919516

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea (CID 111439144) is 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea is CCC(COC)NC(=O)NCC1(O)CCCC1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea?
The InChIKey is YBLYXBMMQHQXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-10(8-17-2)14-11(15)13-9-12(16)6-4-5-7-12/h10,16H,3-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea?
1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea has a molecular weight of 244.33 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea is sourced from PubChem (CID 111439144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).