methyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate

C16H24N2O3 — CID 63108124

IUPACmethyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate
SMILESCCCNc1ccccc1C(=O)N(CC(=O)OC)C(C)C
InChIInChI=1S/C16H24N2O3/c1-5-10-17-14-9-7-6-8-13(14)16(20)18(12(2)3)11-15(19)21-4/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyQESQHVVGSQLHKG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.53
Rot. Bonds7

About methyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate

methyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate (PubChem CID 63108124) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate
PubChem CID63108124
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate
SMILESCCCNc1ccccc1C(=O)N(CC(=O)OC)C(C)C
InChIInChI=1S/C16H24N2O3/c1-5-10-17-14-9-7-6-8-13(14)16(20)18(12(2)3)11-15(19)21-4/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyQESQHVVGSQLHKG-UHFFFAOYSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-N-propan-2-yl-2-(propylamino)benzamide
CID 62176891
N-pentyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62174124
N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide
CID 63108031
N-methyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62166178
N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 62180129
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide
CID 55061041
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide
CID 62177403
N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide
CID 105068541
N-ethyl-N-(2-methoxyethyl)-2-(propylamino)benzamide
CID 55047435
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(propylamino)benzamide
CID 63107687
methyl 2-[[2-(propylamino)benzoyl]amino]propanoate
CID 63108414

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate (CID 63108124) is methyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate is CCCNc1ccccc1C(=O)N(CC(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate?
The InChIKey is QESQHVVGSQLHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-10-17-14-9-7-6-8-13(14)16(20)18(12(2)3)11-15(19)21-4/h6-9,12,17H,5,10-11H2,1-4H3.
What are the key properties of methyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate?
methyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate has a molecular weight of 292.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate is sourced from PubChem (CID 63108124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).