N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-2-methoxybenzamide

C16H20N2O4 — CID 134349607

IUPACN-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C)C(=O)C(=O)NCC1CC1
InChIInChI=1S/C16H20N2O4/c1-10(14(19)16(21)17-9-11-7-8-11)18-15(20)12-5-3-4-6-13(12)22-2/h3-6,10-11H,7-9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyDTIBKXIQYXYWPB-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.91
Rot. Bonds7

About N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-2-methoxybenzamide

N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-2-methoxybenzamide (PubChem CID 134349607) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-2-methoxybenzamide
PubChem CID134349607
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C)C(=O)C(=O)NCC1CC1
InChIInChI=1S/C16H20N2O4/c1-10(14(19)16(21)17-9-11-7-8-11)18-15(20)12-5-3-4-6-13(12)22-2/h3-6,10-11H,7-9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyDTIBKXIQYXYWPB-UHFFFAOYSA-N
XLogP0.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide
CID 167135250
N-butan-2-yl-2-methoxybenzamide
CID 3117660
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
CID 65188794
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5173361
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060
2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide
CID 58370506
N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide
CID 113272537
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide
CID 98135958

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-2-methoxybenzamide (CID 134349607) is N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(C)C(=O)C(=O)NCC1CC1.
What is the InChIKey of N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-2-methoxybenzamide?
The InChIKey is DTIBKXIQYXYWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10(14(19)16(21)17-9-11-7-8-11)18-15(20)12-5-3-4-6-13(12)22-2/h3-6,10-11H,7-9H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-2-methoxybenzamide?
N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-2-methoxybenzamide has a molecular weight of 304.35 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 134349607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).