4-(2-acetamidopropanoylamino)-5-oxo-N-propyloctanamide

C16H29N3O4 — CID 59091197

IUPAC4-(2-acetamidopropanoylamino)-5-oxo-N-propyloctanamide
SMILESCCCNC(=O)CCC(NC(=O)C(C)NC(C)=O)C(=O)CCC
InChIInChI=1S/C16H29N3O4/c1-5-7-14(21)13(8-9-15(22)17-10-6-2)19-16(23)11(3)18-12(4)20/h11,13H,5-10H2,1-4H3,(H,17,22)(H,18,20)(H,19,23)
InChIKeyAPNXNLLBGWMWGS-UHFFFAOYSA-N
MW327.43 g/mol
LogP0.67
Rot. Bonds11

About 4-(2-acetamidopropanoylamino)-5-oxo-N-propyloctanamide

4-(2-acetamidopropanoylamino)-5-oxo-N-propyloctanamide (PubChem CID 59091197) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(2-acetamidopropanoylamino)-5-oxo-N-propyloctanamide.

Molecular Properties

Compound Name4-(2-acetamidopropanoylamino)-5-oxo-N-propyloctanamide
PubChem CID59091197
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Name4-(2-acetamidopropanoylamino)-5-oxo-N-propyloctanamide
SMILESCCCNC(=O)CCC(NC(=O)C(C)NC(C)=O)C(=O)CCC
InChIInChI=1S/C16H29N3O4/c1-5-7-14(21)13(8-9-15(22)17-10-6-2)19-16(23)11(3)18-12(4)20/h11,13H,5-10H2,1-4H3,(H,17,22)(H,18,20)(H,19,23)
InChIKeyAPNXNLLBGWMWGS-UHFFFAOYSA-N
XLogP0.67
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-[(3S)-2-oxopyrrolidin-3-yl]dodecanamide
CID 16122585
N-Lauroyl-L-glutamic acid di-n-butylamide
CID 113401
N-[(3S)-2,6-dioxopiperidin-3-yl]undecanamide
CID 10935341
N-[(3S)-2,6-dioxopiperidin-3-yl]nonanamide
CID 11054677
N-[(1S)-5-Amino-1-[[(4-amino-1-oxobutyl)(2-amino-2-oxoethyl)amino]methyl]pentyl]hexadecanamide
CID 57413875
(2S)-2-amino-N-dodecylpentanediamide
CID 10519283
N-[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]hexadecanamide
CID 15984104
palmitoyl-Lys-Lys-Lys-NH2
CID 53319066
Ac-Lys(Ac)-Asu(NH2)(NH2)-Lys(Ac)-NH2
CID 56664966
N-[4-amino-1-[[4-amino-1-[(4-amino-1-carbamoyl-butyl)carbamoyl]butyl]carbamoyl]butyl]tetradecanamide
CID 86577708
N-[4-amino-1-[[4-amino-1-[[4-amino-1-[(4-amino-1-carbamoyl-butyl)carbamoyl]butyl]carbamoyl]butyl]carbamoyl]butyl]octadecanamide
CID 86577788
N-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide
CID 53238621

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidopropanoylamino)-5-oxo-N-propyloctanamide?
The IUPAC name of 4-(2-acetamidopropanoylamino)-5-oxo-N-propyloctanamide (CID 59091197) is 4-(2-acetamidopropanoylamino)-5-oxo-N-propyloctanamide.
What is the SMILES notation for 4-(2-acetamidopropanoylamino)-5-oxo-N-propyloctanamide?
The canonical SMILES for 4-(2-acetamidopropanoylamino)-5-oxo-N-propyloctanamide is CCCNC(=O)CCC(NC(=O)C(C)NC(C)=O)C(=O)CCC.
What is the InChIKey of 4-(2-acetamidopropanoylamino)-5-oxo-N-propyloctanamide?
The InChIKey is APNXNLLBGWMWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-5-7-14(21)13(8-9-15(22)17-10-6-2)19-16(23)11(3)18-12(4)20/h11,13H,5-10H2,1-4H3,(H,17,22)(H,18,20)(H,19,23).
What are the key properties of 4-(2-acetamidopropanoylamino)-5-oxo-N-propyloctanamide?
4-(2-acetamidopropanoylamino)-5-oxo-N-propyloctanamide has a molecular weight of 327.43 g/mol, XLogP of 0.67, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamidopropanoylamino)-5-oxo-N-propyloctanamide is sourced from PubChem (CID 59091197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).