N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide

C14H20ClN3O2 — CID 47225106

IUPACN'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NCCCN(C)C
InChIInChI=1S/C14H20ClN3O2/c1-10-9-11(15)5-6-12(10)17-14(20)13(19)16-7-4-8-18(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyXKXALUMTFOHRFO-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.65
Rot. Bonds5

About N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide

N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide (PubChem CID 47225106) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
PubChem CID47225106
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NCCCN(C)C
InChIInChI=1S/C14H20ClN3O2/c1-10-9-11(15)5-6-12(10)17-14(20)13(19)16-7-4-8-18(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyXKXALUMTFOHRFO-UHFFFAOYSA-N
XLogP1.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225107
N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 7585404
5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104343
N'-(4-chloro-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 4066103
N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide
CID 108511778
N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108501046
N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 44902655
N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518449
N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944302
N'-(4-bromo-3-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47148089
N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide
CID 44995823
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide (CID 47225106) is N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide is Cc1cc(Cl)ccc1NC(=O)C(=O)NCCCN(C)C.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide?
The InChIKey is XKXALUMTFOHRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-10-9-11(15)5-6-12(10)17-14(20)13(19)16-7-4-8-18(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide?
N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide has a molecular weight of 297.79 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide is sourced from PubChem (CID 47225106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).