2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride

C17H27Cl2N3O3 — CID 119815090

IUPAC2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC.Cl
InChIInChI=1S/C17H26ClN3O3.ClH/c1-5-10(2)16(19)17(23)20-7-6-15(22)21-13-8-11(3)12(18)9-14(13)24-4;/h8-10,16H,5-7,19H2,1-4H3,(H,20,23)(H,21,22);1H
InChIKeySLXWLRQCZURRFM-UHFFFAOYSA-N
MW392.33 g/mol
LogP2.90
Rot. Bonds8

About 2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride

2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride (PubChem CID 119815090) has the molecular formula C17H27Cl2N3O3 and a molecular weight of 392.33 g/mol. Its IUPAC name is 2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride
PubChem CID119815090
Molecular FormulaC17H27Cl2N3O3
Molecular Weight392.33 g/mol
Exact Mass391.14
IUPAC Name2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC.Cl
InChIInChI=1S/C17H26ClN3O3.ClH/c1-5-10(2)16(19)17(23)20-7-6-15(22)21-13-8-11(3)12(18)9-14(13)24-4;/h8-10,16H,5-7,19H2,1-4H3,(H,20,23)(H,21,22);1H
InChIKeySLXWLRQCZURRFM-UHFFFAOYSA-N
XLogP2.90
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide
CID 119815091
3-[(2-amino-2-phenylacetyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 119341638
(2S)-2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride
CID 119341627
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide
CID 113001589
2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide
CID 119762097
3-[[2-(4-aminophenyl)acetyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 119815061
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
CID 119815078
1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 119341646
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide
CID 108940764

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride (CID 119815090) is 2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC.Cl.
What is the InChIKey of 2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride?
The InChIKey is SLXWLRQCZURRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3.ClH/c1-5-10(2)16(19)17(23)20-7-6-15(22)21-13-8-11(3)12(18)9-14(13)24-4;/h8-10,16H,5-7,19H2,1-4H3,(H,20,23)(H,21,22);1H.
What are the key properties of 2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride has a molecular weight of 392.33 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119815090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).