2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride

C16H25ClN2O3 — CID 119913236

IUPAC2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
SMILESCc1cccc(C(C)C)c1NC(=O)CN(C)C(C)C(=O)O.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-10(2)13-8-6-7-11(3)15(13)17-14(19)9-18(5)12(4)16(20)21;/h6-8,10,12H,9H2,1-5H3,(H,17,19)(H,20,21);1H
InChIKeyGBVDQMXGKDHYQP-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.88
Rot. Bonds6

About 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride

2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride (PubChem CID 119913236) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
PubChem CID119913236
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
SMILESCc1cccc(C(C)C)c1NC(=O)CN(C)C(C)C(=O)O.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-10(2)13-8-6-7-11(3)15(13)17-14(19)9-18(5)12(4)16(20)21;/h6-8,10,12H,9H2,1-5H3,(H,17,19)(H,20,21);1H
InChIKeyGBVDQMXGKDHYQP-UHFFFAOYSA-N
XLogP2.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911846
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8912935
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30464682
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8909425
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 43135784
N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide
CID 108953169
2-[bis(2-methoxyethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 33483586
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 3880241

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride?
The IUPAC name of 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride (CID 119913236) is 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride is Cc1cccc(C(C)C)c1NC(=O)CN(C)C(C)C(=O)O.Cl.
What is the InChIKey of 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride?
The InChIKey is GBVDQMXGKDHYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-10(2)13-8-6-7-11(3)15(13)17-14(19)9-18(5)12(4)16(20)21;/h6-8,10,12H,9H2,1-5H3,(H,17,19)(H,20,21);1H.
What are the key properties of 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride?
2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride is sourced from PubChem (CID 119913236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).