2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide

C16H24ClN3O2 — CID 119762097

IUPAC2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C16H24ClN3O2/c1-4-10(2)15(18)16(22)19-9-8-14(21)20-13-7-5-6-12(17)11(13)3/h5-7,10,15H,4,8-9,18H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyYBAQPPCYDUBSFF-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.47
Rot. Bonds7

About 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide

2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide (PubChem CID 119762097) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide
PubChem CID119762097
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C16H24ClN3O2/c1-4-10(2)15(18)16(22)19-9-8-14(21)20-13-7-5-6-12(17)11(13)3/h5-7,10,15H,4,8-9,18H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyYBAQPPCYDUBSFF-UHFFFAOYSA-N
XLogP2.47
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 81424178
4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide
CID 112517479
(2S)-2-amino-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 119271120
2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide
CID 119815091
2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride
CID 119815090
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride
CID 119767808
3-[(N-butan-2-yl-N'-methylcarbamimidoyl)amino]-N-(3-chloro-2-methylphenyl)propanamide;hydroiodide
CID 110944509
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
N-(3-chloro-2-methylphenyl)-3-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111092417
N-(3-chloro-2-methylphenyl)-3-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 111179142
7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide
CID 119762063

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide (CID 119762097) is 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCCC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide?
The InChIKey is YBAQPPCYDUBSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-4-10(2)15(18)16(22)19-9-8-14(21)20-13-7-5-6-12(17)11(13)3/h5-7,10,15H,4,8-9,18H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide?
2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide has a molecular weight of 325.84 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide is sourced from PubChem (CID 119762097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).