N'-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide

C18H25ClN4O5 — CID 9351925

IUPACN'-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)NC(C)C)cc(Cl)c1OCC(=O)N(C)C
InChIInChI=1S/C18H25ClN4O5/c1-6-27-14-8-12(9-20-22-18(26)17(25)21-11(2)3)7-13(19)16(14)28-10-15(24)23(4)5/h7-9,11H,6,10H2,1-5H3,(H,21,25)(H,22,26)/b20-9-
InChIKeyIFEWLTRPXWUMDG-UKWGHVSLSA-N
MW412.87 g/mol
LogP1.18
Rot. Bonds8

About N'-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide

N'-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide (PubChem CID 9351925) has the molecular formula C18H25ClN4O5 and a molecular weight of 412.87 g/mol. Its IUPAC name is N'-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide
PubChem CID9351925
Molecular FormulaC18H25ClN4O5
Molecular Weight412.87 g/mol
Exact Mass412.15
IUPAC NameN'-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)NC(C)C)cc(Cl)c1OCC(=O)N(C)C
InChIInChI=1S/C18H25ClN4O5/c1-6-27-14-8-12(9-20-22-18(26)17(25)21-11(2)3)7-13(19)16(14)28-10-15(24)23(4)5/h7-9,11H,6,10H2,1-5H3,(H,21,25)(H,22,26)/b20-9-
InChIKeyIFEWLTRPXWUMDG-UKWGHVSLSA-N
XLogP1.18
TPSA109.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-6-methoxy-4-[(Z)-[[2-oxo-2-(propan-2-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989905
tert-butyl N-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]carbamate
CID 9074660
2-[2,6-dichloro-4-[(Z)-[[2-oxo-2-(propan-2-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8990106
N'-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8900767
2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide
CID 57361228
2-[2-chloro-6-ethoxy-4-[(Z)-[[2-oxo-2-(prop-2-enylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989937
2-[4-[(Z)-[[2-[[(2S)-butan-2-yl]amino]-2-oxoacetyl]hydrazinylidene]methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 8989926
N-[(Z)-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-ethoxyphenyl]methylideneamino]acetamide
CID 126020491
N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide
CID 126162291
2-[2-chloro-6-ethoxy-4-[(Z)-[[2-(3-methoxypropylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989936
2-[2-chloro-6-ethoxy-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]acetic acid
CID 4038892
2-[2-chloro-4-[(E)-[(3,4-diethoxybenzoyl)hydrazinylidene]methyl]-6-ethoxyphenoxy]acetic acid
CID 126340491

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide (CID 9351925) is N'-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide is CCOc1cc(/C=N\NC(=O)C(=O)NC(C)C)cc(Cl)c1OCC(=O)N(C)C.
What is the InChIKey of N'-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide?
The InChIKey is IFEWLTRPXWUMDG-UKWGHVSLSA-N. The full InChI is InChI=1S/C18H25ClN4O5/c1-6-27-14-8-12(9-20-22-18(26)17(25)21-11(2)3)7-13(19)16(14)28-10-15(24)23(4)5/h7-9,11H,6,10H2,1-5H3,(H,21,25)(H,22,26)/b20-9-.
What are the key properties of N'-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide has a molecular weight of 412.87 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 9351925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).