N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide

C19H21ClN2O3 — CID 108986374

IUPACN'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-19(2,3)22-18(24)17(23)21-15-8-10-16(11-9-15)25-12-13-4-6-14(20)7-5-13/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZYPOTKKOJOXJOB-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.77
Rot. Bonds4

About N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide

N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide (PubChem CID 108986374) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide
PubChem CID108986374
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-19(2,3)22-18(24)17(23)21-15-8-10-16(11-9-15)25-12-13-4-6-14(20)7-5-13/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZYPOTKKOJOXJOB-UHFFFAOYSA-N
XLogP3.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
CID 22690589
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide
CID 109011723
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide
CID 108951508
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
CID 717019
N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide
CID 108941716
N-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 70611798
N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide
CID 108941522
N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 6028508
4-[[4-[3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid
CID 2875657

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide?
The IUPAC name of N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide (CID 108986374) is N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide is CC(C)(C)NC(=O)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide?
The InChIKey is ZYPOTKKOJOXJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-19(2,3)22-18(24)17(23)21-15-8-10-16(11-9-15)25-12-13-4-6-14(20)7-5-13/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide?
N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide has a molecular weight of 360.84 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide is sourced from PubChem (CID 108986374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).