1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate

C19H24ClNO4 — CID 70405843

IUPAC1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate
SMILESCC(Cl)OC(=O)C(C)(C)NCC(O)COc1cccc2ccccc12
InChIInChI=1S/C19H24ClNO4/c1-13(20)25-18(23)19(2,3)21-11-15(22)12-24-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,13,15,21-22H,11-12H2,1-3H3
InChIKeyQWQCVYVKXUASBG-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.08
Rot. Bonds8

About 1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate

1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate (PubChem CID 70405843) has the molecular formula C19H24ClNO4 and a molecular weight of 365.86 g/mol. Its IUPAC name is 1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Name1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate
PubChem CID70405843
Molecular FormulaC19H24ClNO4
Molecular Weight365.86 g/mol
Exact Mass365.14
IUPAC Name1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate
SMILESCC(Cl)OC(=O)C(C)(C)NCC(O)COc1cccc2ccccc12
InChIInChI=1S/C19H24ClNO4/c1-13(20)25-18(23)19(2,3)21-11-15(22)12-24-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,13,15,21-22H,11-12H2,1-3H3
InChIKeyQWQCVYVKXUASBG-UHFFFAOYSA-N
XLogP3.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 22640874
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
CID 95281049
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 18599940
(2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 59040452
methyl 2-[3-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-2-hydroxypropoxy]benzoate
CID 13040919

Frequently Asked Questions

What is the IUPAC name of 1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate?
The IUPAC name of 1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate (CID 70405843) is 1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate.
What is the SMILES notation for 1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate?
The canonical SMILES for 1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate is CC(Cl)OC(=O)C(C)(C)NCC(O)COc1cccc2ccccc12.
What is the InChIKey of 1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate?
The InChIKey is QWQCVYVKXUASBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO4/c1-13(20)25-18(23)19(2,3)21-11-15(22)12-24-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,13,15,21-22H,11-12H2,1-3H3.
What are the key properties of 1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate?
1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate has a molecular weight of 365.86 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate is sourced from PubChem (CID 70405843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).