4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate

C15H20ClNO4 — CID 122704702

IUPAC4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate
SMILESCCOC(=O)NC(C)CC(C)OC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO4/c1-4-20-15(19)17-10(2)9-11(3)21-14(18)12-5-7-13(16)8-6-12/h5-8,10-11H,4,9H2,1-3H3,(H,17,19)
InChIKeyGPBBMIRDLYDUHF-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.41
Rot. Bonds6

About 4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate

4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate (PubChem CID 122704702) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate.

Molecular Properties

Compound Name4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate
PubChem CID122704702
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate
SMILESCCOC(=O)NC(C)CC(C)OC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO4/c1-4-20-15(19)17-10(2)9-11(3)21-14(18)12-5-7-13(16)8-6-12/h5-8,10-11H,4,9H2,1-3H3,(H,17,19)
InChIKeyGPBBMIRDLYDUHF-UHFFFAOYSA-N
XLogP3.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate
CID 34256262
4-(ethylamino)pentan-2-yl benzoate
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4-methylpentan-2-yl 4-amino-3-methylbenzoate
CID 61278819
ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate
CID 621078
ethyl 3-(4-chlorophenyl)-2-(ethoxycarbonylamino)propanoate
CID 11001050
4-O-decan-2-yl 1-O-ethyl benzene-1,4-dicarboxylate
CID 91727080
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
[bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate
CID 146494079
ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate
CID 13021625
4-methylpentan-2-yl 3-chlorobenzoate
CID 91716229
ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate
CID 121220788
butan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
CID 82186264

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate?
The IUPAC name of 4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate (CID 122704702) is 4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate.
What is the SMILES notation for 4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate?
The canonical SMILES for 4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate is CCOC(=O)NC(C)CC(C)OC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate?
The InChIKey is GPBBMIRDLYDUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-4-20-15(19)17-10(2)9-11(3)21-14(18)12-5-7-13(16)8-6-12/h5-8,10-11H,4,9H2,1-3H3,(H,17,19).
What are the key properties of 4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate?
4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate has a molecular weight of 313.78 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate is sourced from PubChem (CID 122704702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).