ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate

C12H16ClNO3 — CID 60747816

IUPACethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C12H16ClNO3/c1-4-16-12(15)14-9-5-6-11(10(13)7-9)17-8(2)3/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyRYIWHVHJKNOSBW-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.70
Rot. Bonds4

About ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate

ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate (PubChem CID 60747816) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
PubChem CID60747816
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Nameethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C12H16ClNO3/c1-4-16-12(15)14-9-5-6-11(10(13)7-9)17-8(2)3/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyRYIWHVHJKNOSBW-UHFFFAOYSA-N
XLogP3.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
(2S)-2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)butanamide
CID 79024527
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 47306002
4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
CID 43712010
ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
CID 112987218
ethyl (2R)-2-[2-chloro-4-[(2,2-dichloroacetyl)amino]phenoxy]propanoate
CID 6976953
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
2-(3-chloro-4-propan-2-yloxyanilino)acetamide
CID 96674678
6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide
CID 43712013
6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 106551049

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate?
The IUPAC name of ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate (CID 60747816) is ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate?
The canonical SMILES for ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate is CCOC(=O)Nc1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate?
The InChIKey is RYIWHVHJKNOSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-4-16-12(15)14-9-5-6-11(10(13)7-9)17-8(2)3/h5-8H,4H2,1-3H3,(H,14,15).
What are the key properties of ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate?
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate has a molecular weight of 257.72 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate is sourced from PubChem (CID 60747816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).