2-[(2-acetamidoacetyl)amino]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide

C19H19N3O5 — CID 5098972

IUPAC2-[(2-acetamidoacetyl)amino]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide
SMILESCC(=O)NCC(=O)NC(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C19H19N3O5/c1-12(23)20-10-17(24)22-18(13-5-3-2-4-6-13)19(25)21-14-7-8-15-16(9-14)27-11-26-15/h2-9,18H,10-11H2,1H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyRNPWKPFKXAKDGX-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.35
Rot. Bonds6

About 2-[(2-acetamidoacetyl)amino]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide

2-[(2-acetamidoacetyl)amino]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide (PubChem CID 5098972) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-[(2-acetamidoacetyl)amino]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[(2-acetamidoacetyl)amino]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide
PubChem CID5098972
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name2-[(2-acetamidoacetyl)amino]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide
SMILESCC(=O)NCC(=O)NC(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C19H19N3O5/c1-12(23)20-10-17(24)22-18(13-5-3-2-4-6-13)19(25)21-14-7-8-15-16(9-14)27-11-26-15/h2-9,18H,10-11H2,1H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyRNPWKPFKXAKDGX-UHFFFAOYSA-N
XLogP1.35
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 3240990
N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 674577
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
N-[2-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3,3-dimethylbutanamide
CID 18574682
N-(2-(benzo[d][1,3]dioxol-5-yl)-2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)cyclohexanecarboxamide
CID 22583924
N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide
CID 760826
2-[[(2S)-6-amino-2-[hydroxy(4-phenylbutyl)phosphoryl]oxyhexanoyl]-(1,3-benzodioxol-5-yl)amino]acetic acid
CID 14630801
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(1,3-benzodioxol-5-yl)cyclohexanecarboxamide
CID 823577
N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 863856
N-1,3-benzodioxol-5-yl-N'-(4-methylcyclohexyl)ethanediamide
CID 2223231
N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide
CID 2225277

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamidoacetyl)amino]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide?
The IUPAC name of 2-[(2-acetamidoacetyl)amino]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide (CID 5098972) is 2-[(2-acetamidoacetyl)amino]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide.
What is the SMILES notation for 2-[(2-acetamidoacetyl)amino]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide?
The canonical SMILES for 2-[(2-acetamidoacetyl)amino]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide is CC(=O)NCC(=O)NC(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of 2-[(2-acetamidoacetyl)amino]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide?
The InChIKey is RNPWKPFKXAKDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-12(23)20-10-17(24)22-18(13-5-3-2-4-6-13)19(25)21-14-7-8-15-16(9-14)27-11-26-15/h2-9,18H,10-11H2,1H3,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of 2-[(2-acetamidoacetyl)amino]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide?
2-[(2-acetamidoacetyl)amino]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide has a molecular weight of 369.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamidoacetyl)amino]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide is sourced from PubChem (CID 5098972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).