3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide

C14H22ClN3O2 — CID 120827355

IUPAC3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide
SMILESCNC(C)CNC(=O)CCNc1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClN3O2/c1-10(16-2)9-18-14(19)6-7-17-12-8-11(15)4-5-13(12)20-3/h4-5,8,10,16-17H,6-7,9H2,1-3H3,(H,18,19)
InChIKeyAUNVQCLVXPHFFD-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.87
Rot. Bonds8

About 3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide

3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide (PubChem CID 120827355) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide
PubChem CID120827355
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide
SMILESCNC(C)CNC(=O)CCNc1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClN3O2/c1-10(16-2)9-18-14(19)6-7-17-12-8-11(15)4-5-13(12)20-3/h4-5,8,10,16-17H,6-7,9H2,1-3H3,(H,18,19)
InChIKeyAUNVQCLVXPHFFD-UHFFFAOYSA-N
XLogP1.87
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119385515
3-[3-(5-chloro-2-methoxyanilino)propanoylamino]butanoic acid
CID 119220785
2-[3-(5-chloro-2-methoxyanilino)propanoylamino]propanoic acid
CID 119225123
3-(5-chloro-2-methoxyanilino)-N-heptan-2-ylpropanamide
CID 56684594
3-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
2-[3-(5-chloro-2-methoxyanilino)propanoyl-methylamino]propanoic acid
CID 119208863
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-2-methylpropanoic acid
CID 119187451
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 52782436

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide (CID 120827355) is 3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide is CNC(C)CNC(=O)CCNc1cc(Cl)ccc1OC.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide?
The InChIKey is AUNVQCLVXPHFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-10(16-2)9-18-14(19)6-7-17-12-8-11(15)4-5-13(12)20-3/h4-5,8,10,16-17H,6-7,9H2,1-3H3,(H,18,19).
What are the key properties of 3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide?
3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide has a molecular weight of 299.80 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide is sourced from PubChem (CID 120827355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).