1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea

C12H24N2O2 — CID 71919516

IUPAC1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
SMILESCCCC1(CNC(=O)NC(C)COC)CC1
InChIInChI=1S/C12H24N2O2/c1-4-5-12(6-7-12)9-13-11(15)14-10(2)8-16-3/h10H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyPJZSKTGCPYBLNF-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.90
Rot. Bonds7

About 1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea

1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea (PubChem CID 71919516) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
PubChem CID71919516
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
SMILESCCCC1(CNC(=O)NC(C)COC)CC1
InChIInChI=1S/C12H24N2O2/c1-4-5-12(6-7-12)9-13-11(15)14-10(2)8-16-3/h10H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyPJZSKTGCPYBLNF-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1-methoxypropan-2-yl]-3-[(1-propylcyclopropyl)methyl]urea
CID 97098099
1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea
CID 103761309
1-methoxy-N-[(1-propylcyclopropyl)methyl]propan-2-amine
CID 115695256
4-[(1-methoxypropan-2-ylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440287
2-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]propanamide
CID 103799994
4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid
CID 114101487
1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea
CID 60612373
ethyl N-[(1-propylcyclopropyl)methyl]carbamate
CID 103762312
3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid
CID 81085411
(2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide
CID 103833324
1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea
CID 111439144
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methoxy-1-phenylethyl)urea
CID 111618774

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea (CID 71919516) is 1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea is CCCC1(CNC(=O)NC(C)COC)CC1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea?
The InChIKey is PJZSKTGCPYBLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-12(6-7-12)9-13-11(15)14-10(2)8-16-3/h10H,4-9H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea?
1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea has a molecular weight of 228.34 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea is sourced from PubChem (CID 71919516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).