N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid

C17H25N3O5 — CID 154912847

IUPACN-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid
SMILESCc1ccc(NC(=O)CN(C)C)cc1NC(=O)C1CCOC1.O=CO
InChIInChI=1S/C16H23N3O3.CH2O2/c1-11-4-5-13(17-15(20)9-19(2)3)8-14(11)18-16(21)12-6-7-22-10-12;2-1-3/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,17,20)(H,18,21);1H,(H,2,3)
InChIKeyDFWGHGBAEBKCHW-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.17
Rot. Bonds5

About N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid

N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid (PubChem CID 154912847) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid.

Molecular Properties

Compound NameN-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid
PubChem CID154912847
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC NameN-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid
SMILESCc1ccc(NC(=O)CN(C)C)cc1NC(=O)C1CCOC1.O=CO
InChIInChI=1S/C16H23N3O3.CH2O2/c1-11-4-5-13(17-15(20)9-19(2)3)8-14(11)18-16(21)12-6-7-22-10-12;2-1-3/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,17,20)(H,18,21);1H,(H,2,3)
InChIKeyDFWGHGBAEBKCHW-UHFFFAOYSA-N
XLogP1.17
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide
CID 131911889
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 131938414
N-[3-(carbamothioylamino)-4-methylphenyl]-2-(dimethylamino)acetamide
CID 169356345
2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide
CID 131890191
(1R,9aR)-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide
CID 131951702
N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide
CID 54791838
N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide
CID 75496705
2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide
CID 118764190
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 46467347
N-[3-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 46487284
2-(dimethylamino)-N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-4-methylphenyl]acetamide
CID 168537085

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid?
The IUPAC name of N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid (CID 154912847) is N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid.
What is the SMILES notation for N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid?
The canonical SMILES for N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid is Cc1ccc(NC(=O)CN(C)C)cc1NC(=O)C1CCOC1.O=CO.
What is the InChIKey of N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid?
The InChIKey is DFWGHGBAEBKCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.CH2O2/c1-11-4-5-13(17-15(20)9-19(2)3)8-14(11)18-16(21)12-6-7-22-10-12;2-1-3/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,17,20)(H,18,21);1H,(H,2,3).
What are the key properties of N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid?
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid has a molecular weight of 351.40 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid is sourced from PubChem (CID 154912847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).