N-[1-(diacetylamino)butan-2-yl]acetamide

C10H18N2O3 — CID 146198331

IUPACN-[1-(diacetylamino)butan-2-yl]acetamide
SMILESCCC(CN(C(C)=O)C(C)=O)NC(C)=O
InChIInChI=1S/C10H18N2O3/c1-5-10(11-7(2)13)6-12(8(3)14)9(4)15/h10H,5-6H2,1-4H3,(H,11,13)
InChIKeyHDPOIGLZKXPDEC-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.30
Rot. Bonds4

About N-[1-(diacetylamino)butan-2-yl]acetamide

N-[1-(diacetylamino)butan-2-yl]acetamide (PubChem CID 146198331) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-[1-(diacetylamino)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(diacetylamino)butan-2-yl]acetamide
PubChem CID146198331
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-[1-(diacetylamino)butan-2-yl]acetamide
SMILESCCC(CN(C(C)=O)C(C)=O)NC(C)=O
InChIInChI=1S/C10H18N2O3/c1-5-10(11-7(2)13)6-12(8(3)14)9(4)15/h10H,5-6H2,1-4H3,(H,11,13)
InChIKeyHDPOIGLZKXPDEC-UHFFFAOYSA-N
XLogP0.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamidobutyl)acetamide
CID 547374
N-[(2R)-2-acetamidobutyl]acetamide
CID 102008964
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
methyl (3R)-3-acetamidopentanoate
CID 11446607
2-acetamidobutane-1-sulfonic acid
CID 174784866
N-[(3S)-6-aminohexan-3-yl]acetamide
CID 143107836
N-(2-acetamidopropyl)-N,N'-diacetyl-N'-[1-(diacetylamino)butan-2-yl]butanediamide
CID 146212145
4-acetamido-2-aminohexanoic acid
CID 139345088
N-(5-acetamidoheptyl)acetamide
CID 59001684
N-(1-phenylbutan-2-yl)acetamide
CID 2826983
ethyl 4-acetamidohexanoate
CID 173385826
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652

Frequently Asked Questions

What is the IUPAC name of N-[1-(diacetylamino)butan-2-yl]acetamide?
The IUPAC name of N-[1-(diacetylamino)butan-2-yl]acetamide (CID 146198331) is N-[1-(diacetylamino)butan-2-yl]acetamide.
What is the SMILES notation for N-[1-(diacetylamino)butan-2-yl]acetamide?
The canonical SMILES for N-[1-(diacetylamino)butan-2-yl]acetamide is CCC(CN(C(C)=O)C(C)=O)NC(C)=O.
What is the InChIKey of N-[1-(diacetylamino)butan-2-yl]acetamide?
The InChIKey is HDPOIGLZKXPDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-5-10(11-7(2)13)6-12(8(3)14)9(4)15/h10H,5-6H2,1-4H3,(H,11,13).
What are the key properties of N-[1-(diacetylamino)butan-2-yl]acetamide?
N-[1-(diacetylamino)butan-2-yl]acetamide has a molecular weight of 214.26 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diacetylamino)butan-2-yl]acetamide is sourced from PubChem (CID 146198331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).