methyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate

C17H24ClNO5 — CID 30875825

IUPACmethyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate
SMILESCCCOc1c(Cl)cc(C(=O)NC(C)(C)C(=O)OC)cc1OCC
InChIInChI=1S/C17H24ClNO5/c1-6-8-24-14-12(18)9-11(10-13(14)23-7-2)15(20)19-17(3,4)16(21)22-5/h9-10H,6-8H2,1-5H3,(H,19,20)
InChIKeyFRPRNVCKPTVWJM-UHFFFAOYSA-N
MW357.83 g/mol
LogP3.21
Rot. Bonds8

About methyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate

methyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate (PubChem CID 30875825) has the molecular formula C17H24ClNO5 and a molecular weight of 357.83 g/mol. Its IUPAC name is methyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate
PubChem CID30875825
Molecular FormulaC17H24ClNO5
Molecular Weight357.83 g/mol
Exact Mass357.13
IUPAC Namemethyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate
SMILESCCCOc1c(Cl)cc(C(=O)NC(C)(C)C(=O)OC)cc1OCC
InChIInChI=1S/C17H24ClNO5/c1-6-8-24-14-12(18)9-11(10-13(14)23-7-2)15(20)19-17(3,4)16(21)22-5/h9-10H,6-8H2,1-5H3,(H,19,20)
InChIKeyFRPRNVCKPTVWJM-UHFFFAOYSA-N
XLogP3.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26877166
3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
CID 9102560
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078
3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26694948
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 120506829
3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide
CID 9276291
3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide
CID 120652489
N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 119996833
3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200
N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 55726082

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate (CID 30875825) is methyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate is CCCOc1c(Cl)cc(C(=O)NC(C)(C)C(=O)OC)cc1OCC.
What is the InChIKey of methyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate?
The InChIKey is FRPRNVCKPTVWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO5/c1-6-8-24-14-12(18)9-11(10-13(14)23-7-2)15(20)19-17(3,4)16(21)22-5/h9-10H,6-8H2,1-5H3,(H,19,20).
What are the key properties of methyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate?
methyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate has a molecular weight of 357.83 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 30875825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).