[1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate

C19H30ClNO4 — CID 123499796

IUPAC[1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate
SMILESCCCCC(OC)OC(c1ccccc1Cl)C(C)OC(=O)NCCC
InChIInChI=1S/C19H30ClNO4/c1-5-7-12-17(23-4)25-18(15-10-8-9-11-16(15)20)14(3)24-19(22)21-13-6-2/h8-11,14,17-18H,5-7,12-13H2,1-4H3,(H,21,22)
InChIKeyNMHXONXDVTYPQP-UHFFFAOYSA-N
MW371.91 g/mol
LogP5.09
Rot. Bonds11

About [1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate

[1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate (PubChem CID 123499796) has the molecular formula C19H30ClNO4 and a molecular weight of 371.91 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate
PubChem CID123499796
Molecular FormulaC19H30ClNO4
Molecular Weight371.91 g/mol
Exact Mass371.19
IUPAC Name[1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate
SMILESCCCCC(OC)OC(c1ccccc1Cl)C(C)OC(=O)NCCC
InChIInChI=1S/C19H30ClNO4/c1-5-7-12-17(23-4)25-18(15-10-8-9-11-16(15)20)14(3)24-19(22)21-13-6-2/h8-11,14,17-18H,5-7,12-13H2,1-4H3,(H,21,22)
InChIKeyNMHXONXDVTYPQP-UHFFFAOYSA-N
XLogP5.09
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.91
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate
CID 123214058
ethyl 2-(2-chlorophenyl)hexanoate
CID 142202893
[(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate
CID 144705888
[(1S,2S)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] 3-methylbutanoate
CID 157293232
1-(2-chlorophenyl)pentyl acetate
CID 141200843
methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane
CID 159889089
[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate
CID 123694763
[1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate
CID 90433258
[1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate
CID 56596269
carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate
CID 23292412
[(1R)-1-(2-methylphenyl)prop-2-enyl] N-butylcarbamate
CID 141398944
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
CID 9306320

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate?
The IUPAC name of [1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate (CID 123499796) is [1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate.
What is the SMILES notation for [1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate?
The canonical SMILES for [1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate is CCCCC(OC)OC(c1ccccc1Cl)C(C)OC(=O)NCCC.
What is the InChIKey of [1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate?
The InChIKey is NMHXONXDVTYPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClNO4/c1-5-7-12-17(23-4)25-18(15-10-8-9-11-16(15)20)14(3)24-19(22)21-13-6-2/h8-11,14,17-18H,5-7,12-13H2,1-4H3,(H,21,22).
What are the key properties of [1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate?
[1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate has a molecular weight of 371.91 g/mol, XLogP of 5.09, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate is sourced from PubChem (CID 123499796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).