2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide

C15H22N2O3 — CID 102562600

IUPAC2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide
SMILESCC(CNC(=O)CC1OCCO1)N(C)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(17(2)13-6-4-3-5-7-13)11-16-14(18)10-15-19-8-9-20-15/h3-7,12,15H,8-11H2,1-2H3,(H,16,18)
InChIKeyPYKSDTTUWKRPRQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.39
Rot. Bonds6

About 2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide

2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide (PubChem CID 102562600) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide
PubChem CID102562600
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide
SMILESCC(CNC(=O)CC1OCCO1)N(C)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(17(2)13-6-4-3-5-7-13)11-16-14(18)10-15-19-8-9-20-15/h3-7,12,15H,8-11H2,1-2H3,(H,16,18)
InChIKeyPYKSDTTUWKRPRQ-UHFFFAOYSA-N
XLogP1.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(N-methylanilino)propyl]cyclopropanecarboxamide
CID 94119244
N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide
CID 119941241
N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide
CID 119850601
2,2-dichloro-N-[2-(N-methylanilino)propyl]cyclopropane-1-carboxamide
CID 78876459
(1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98365932
N-[(2R)-2-(N-methylanilino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51728407
4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide
CID 47056970
N-[(2R)-2-(N-methylanilino)propyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide
CID 124737028
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 112826982
N-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide
CID 119047188
5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122170
(3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide
CID 96545860

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide (CID 102562600) is 2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide is CC(CNC(=O)CC1OCCO1)N(C)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide?
The InChIKey is PYKSDTTUWKRPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(17(2)13-6-4-3-5-7-13)11-16-14(18)10-15-19-8-9-20-15/h3-7,12,15H,8-11H2,1-2H3,(H,16,18).
What are the key properties of 2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide?
2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide is sourced from PubChem (CID 102562600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).