N-[2-[acetyl(diacetylcarbamoyl)amino]propyl]-N-carbamoylacetamide

C13H20N4O6 — CID 22027490

IUPACN-[2-[acetyl(diacetylcarbamoyl)amino]propyl]-N-carbamoylacetamide
SMILESCC(=O)N(CC(C)N(C(C)=O)C(=O)N(C(C)=O)C(C)=O)C(N)=O
InChIInChI=1S/C13H20N4O6/c1-7(6-15(8(2)18)12(14)22)16(9(3)19)13(23)17(10(4)20)11(5)21/h7H,6H2,1-5H3,(H2,14,22)
InChIKeyVXSZBTQWSZWHAF-UHFFFAOYSA-N
MW328.33 g/mol
LogP-0.33
Rot. Bonds3

About N-[2-[acetyl(diacetylcarbamoyl)amino]propyl]-N-carbamoylacetamide

N-[2-[acetyl(diacetylcarbamoyl)amino]propyl]-N-carbamoylacetamide (PubChem CID 22027490) has the molecular formula C13H20N4O6 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[2-[acetyl(diacetylcarbamoyl)amino]propyl]-N-carbamoylacetamide.

Molecular Properties

Compound NameN-[2-[acetyl(diacetylcarbamoyl)amino]propyl]-N-carbamoylacetamide
PubChem CID22027490
Molecular FormulaC13H20N4O6
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-[2-[acetyl(diacetylcarbamoyl)amino]propyl]-N-carbamoylacetamide
SMILESCC(=O)N(CC(C)N(C(C)=O)C(=O)N(C(C)=O)C(C)=O)C(N)=O
InChIInChI=1S/C13H20N4O6/c1-7(6-15(8(2)18)12(14)22)16(9(3)19)13(23)17(10(4)20)11(5)21/h7H,6H2,1-5H3,(H2,14,22)
InChIKeyVXSZBTQWSZWHAF-UHFFFAOYSA-N
XLogP-0.33
TPSA138.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-acetyl-N-(1-aminopropan-2-yl)acetamide
CID 71330425
N-(2-methylpropyl)-N-prop-1-en-2-ylacetamide
CID 166860260
N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide
CID 126737316
1-(ethylamino)-1-propan-2-ylurea
CID 123864555
(2S)-2-[acetyl(methyl)amino]propanamide
CID 55282132
ethyl N-acetyl-N-ethoxycarbonylcarbamate
CID 4688283
acetamide;N-ethyl-N-propan-2-ylpropan-2-amine
CID 158250626
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylpropanamide
CID 61219994
N,N-diacetylacetamide;trihydrochloride
CID 173022405
N-acetyl-N-pentan-2-ylpropanamide
CID 176989960
N-[2-(diethylamino)-4-methylpentyl]acetohydrazide
CID 163853487
N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(diacetylcarbamoyl)amino]propyl]-N-carbamoylacetamide?
The IUPAC name of N-[2-[acetyl(diacetylcarbamoyl)amino]propyl]-N-carbamoylacetamide (CID 22027490) is N-[2-[acetyl(diacetylcarbamoyl)amino]propyl]-N-carbamoylacetamide.
What is the SMILES notation for N-[2-[acetyl(diacetylcarbamoyl)amino]propyl]-N-carbamoylacetamide?
The canonical SMILES for N-[2-[acetyl(diacetylcarbamoyl)amino]propyl]-N-carbamoylacetamide is CC(=O)N(CC(C)N(C(C)=O)C(=O)N(C(C)=O)C(C)=O)C(N)=O.
What is the InChIKey of N-[2-[acetyl(diacetylcarbamoyl)amino]propyl]-N-carbamoylacetamide?
The InChIKey is VXSZBTQWSZWHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O6/c1-7(6-15(8(2)18)12(14)22)16(9(3)19)13(23)17(10(4)20)11(5)21/h7H,6H2,1-5H3,(H2,14,22).
What are the key properties of N-[2-[acetyl(diacetylcarbamoyl)amino]propyl]-N-carbamoylacetamide?
N-[2-[acetyl(diacetylcarbamoyl)amino]propyl]-N-carbamoylacetamide has a molecular weight of 328.33 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(diacetylcarbamoyl)amino]propyl]-N-carbamoylacetamide is sourced from PubChem (CID 22027490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).