N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide

C11H23N3O2 — CID 62838445

IUPACN-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NC(C)C(=O)N(C)C
InChIInChI=1S/C11H23N3O2/c1-6-12-8(2)7-10(15)13-9(3)11(16)14(4)5/h8-9,12H,6-7H2,1-5H3,(H,13,15)
InChIKeyPGNSEMJRHKWCPZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.03
Rot. Bonds6

About N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide

N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide (PubChem CID 62838445) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide
PubChem CID62838445
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NC(C)C(=O)N(C)C
InChIInChI=1S/C11H23N3O2/c1-6-12-8(2)7-10(15)13-9(3)11(16)14(4)5/h8-9,12H,6-7H2,1-5H3,(H,13,15)
InChIKeyPGNSEMJRHKWCPZ-UHFFFAOYSA-N
XLogP-0.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-N',N'-dimethylbutanehydrazide
CID 83021084
3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide
CID 62837477
2-(3-aminopropanoylamino)-N,N-dimethylpropanamide
CID 43579388
(2S)-2-[3-(ethylamino)butanoylamino]-3,3-dimethylbutanoic acid
CID 55121546
3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 61464849
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide
CID 54900963
N-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide
CID 81391367
N-[3-(dimethylamino)propyl]-3-(ethylamino)butanamide
CID 62839311
2-(ethylamino)-N,N,3-trimethylbutanamide
CID 143168828
N,N-dimethyl-2-(propylamino)propanamide
CID 43086179
3-(ethylamino)-N-ethylsulfonylbutanamide
CID 103307032
N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide
CID 103461491

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide (CID 62838445) is N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide is CCNC(C)CC(=O)NC(C)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide?
The InChIKey is PGNSEMJRHKWCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-6-12-8(2)7-10(15)13-9(3)11(16)14(4)5/h8-9,12H,6-7H2,1-5H3,(H,13,15).
What are the key properties of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide?
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide has a molecular weight of 229.32 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide is sourced from PubChem (CID 62838445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).