N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide

C15H22ClN3O3 — CID 113060254

IUPACN-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
SMILESCOc1ccc(N(CCNC(=O)NC(C)C)C(C)=O)cc1Cl
InChIInChI=1S/C15H22ClN3O3/c1-10(2)18-15(21)17-7-8-19(11(3)20)12-5-6-14(22-4)13(16)9-12/h5-6,9-10H,7-8H2,1-4H3,(H2,17,18,21)
InChIKeyKVMFXLPHKJJHRG-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.41
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide

N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide (PubChem CID 113060254) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
PubChem CID113060254
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
SMILESCOc1ccc(N(CCNC(=O)NC(C)C)C(C)=O)cc1Cl
InChIInChI=1S/C15H22ClN3O3/c1-10(2)18-15(21)17-7-8-19(11(3)20)12-5-6-14(22-4)13(16)9-12/h5-6,9-10H,7-8H2,1-4H3,(H2,17,18,21)
InChIKeyKVMFXLPHKJJHRG-UHFFFAOYSA-N
XLogP2.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060111
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060236
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128357
N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113060257
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide
CID 113060232
N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058454
N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113062291
N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058034
methyl N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]carbamate
CID 113063574
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061293
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059990
3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide
CID 113130179

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide (CID 113060254) is N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide is COc1ccc(N(CCNC(=O)NC(C)C)C(C)=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The InChIKey is KVMFXLPHKJJHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c1-10(2)18-15(21)17-7-8-19(11(3)20)12-5-6-14(22-4)13(16)9-12/h5-6,9-10H,7-8H2,1-4H3,(H2,17,18,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide has a molecular weight of 327.81 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113060254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).