N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide

C17H23ClN4O5 — CID 8990254

IUPACN'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCC(C)OCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(N)=O)c(Cl)c1
InChIInChI=1S/C17H23ClN4O5/c1-11(2)26-7-3-6-20-16(24)17(25)22-21-9-12-4-5-14(13(18)8-12)27-10-15(19)23/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H2,19,23)(H,20,24)(H,22,25)/b21-9-
InChIKeyGLHWPTSNAKPKFR-NKVSQWTQSA-N
MW398.85 g/mol
LogP0.59
Rot. Bonds10

About N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide

N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 8990254) has the molecular formula C17H23ClN4O5 and a molecular weight of 398.85 g/mol. Its IUPAC name is N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID8990254
Molecular FormulaC17H23ClN4O5
Molecular Weight398.85 g/mol
Exact Mass398.14
IUPAC NameN'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCC(C)OCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(N)=O)c(Cl)c1
InChIInChI=1S/C17H23ClN4O5/c1-11(2)26-7-3-6-20-16(24)17(25)22-21-9-12-4-5-14(13(18)8-12)27-10-15(19)23/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H2,19,23)(H,20,24)(H,22,25)/b21-9-
InChIKeyGLHWPTSNAKPKFR-NKVSQWTQSA-N
XLogP0.59
TPSA132.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide
CID 8990228
2-[4-[(Z)-[[2-(butylamino)-2-oxoacetyl]hydrazinylidene]methyl]-2-chlorophenoxy]acetate
CID 8989815
N'-[(Z)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 126266252
N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 126266800
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 126264857
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 8990255
N'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 17202214
N-(3-propan-2-yloxypropyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989348
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 8990262
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 6368334
N'-[(Z)-[3-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 126265128
2-[2-chloro-4-[[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5133040

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide (CID 8990254) is N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide is CC(C)OCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(N)=O)c(Cl)c1.
What is the InChIKey of N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is GLHWPTSNAKPKFR-NKVSQWTQSA-N. The full InChI is InChI=1S/C17H23ClN4O5/c1-11(2)26-7-3-6-20-16(24)17(25)22-21-9-12-4-5-14(13(18)8-12)27-10-15(19)23/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H2,19,23)(H,20,24)(H,22,25)/b21-9-.
What are the key properties of N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 398.85 g/mol, XLogP of 0.59, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 8990254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).