N-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide

C21H34N4O7 — CID 146212145

IUPACN-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide
SMILESCCC(CN(C(C)=O)C(C)=O)N(C(C)=O)C(=O)CCC(=O)N(CC(C)NC(C)=O)C(C)=O
InChIInChI=1S/C21H34N4O7/c1-8-19(12-23(15(4)27)16(5)28)25(18(7)30)21(32)10-9-20(31)24(17(6)29)11-13(2)22-14(3)26/h13,19H,8-12H2,1-7H3,(H,22,26)
InChIKeyFGKFOPLERILKHY-UHFFFAOYSA-N
MW454.52 g/mol
LogP0.22
Rot. Bonds10

About N-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide

N-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide (PubChem CID 146212145) has the molecular formula C21H34N4O7 and a molecular weight of 454.52 g/mol. Its IUPAC name is N-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide.

Molecular Properties

Compound NameN-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide
PubChem CID146212145
Molecular FormulaC21H34N4O7
Molecular Weight454.52 g/mol
Exact Mass454.24
IUPAC NameN-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide
SMILESCCC(CN(C(C)=O)C(C)=O)N(C(C)=O)C(=O)CCC(=O)N(CC(C)NC(C)=O)C(C)=O
InChIInChI=1S/C21H34N4O7/c1-8-19(12-23(15(4)27)16(5)28)25(18(7)30)21(32)10-9-20(31)24(17(6)29)11-13(2)22-14(3)26/h13,19H,8-12H2,1-7H3,(H,22,26)
InChIKeyFGKFOPLERILKHY-UHFFFAOYSA-N
XLogP0.22
TPSA141.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(diacetylamino)butan-2-yl]acetamide
CID 146198331
N-[5-(dimethylamino)hexan-2-yl]acetamide
CID 59721263
N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide
CID 55301756
N-(4-hydroxybutan-2-yl)acetamide
CID 20609978
4-acetamido-2-ethylpentanoic acid
CID 172972827
ethane;N-(1-ethoxypropan-2-yl)acetamide;methanol
CID 156707108
ethyl (2R)-2-acetamido-2-(dimethylamino)acetate
CID 92980719
N-hexan-2-ylacetamide;methane
CID 161054772
N-(5-ethoxypentan-2-yl)acetamide
CID 89138295
N-[(2R)-1-(methylamino)propan-2-yl]acetamide
CID 88935703
N-(4-bromobutan-2-yl)acetamide
CID 83179388
N-butan-2-yl-4-oxopentanamide
CID 60635035

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide?
The IUPAC name of N-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide (CID 146212145) is N-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide.
What is the SMILES notation for N-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide?
The canonical SMILES for N-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide is CCC(CN(C(C)=O)C(C)=O)N(C(C)=O)C(=O)CCC(=O)N(CC(C)NC(C)=O)C(C)=O.
What is the InChIKey of N-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide?
The InChIKey is FGKFOPLERILKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O7/c1-8-19(12-23(15(4)27)16(5)28)25(18(7)30)21(32)10-9-20(31)24(17(6)29)11-13(2)22-14(3)26/h13,19H,8-12H2,1-7H3,(H,22,26).
What are the key properties of N-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide?
N-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide has a molecular weight of 454.52 g/mol, XLogP of 0.22, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide is sourced from PubChem (CID 146212145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).