N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide

C9H19N3O2 — CID 60843110

IUPACN-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide
SMILESCCNC(=O)CNC(=O)CCCNC
InChIInChI=1S/C9H19N3O2/c1-3-11-9(14)7-12-8(13)5-4-6-10-2/h10H,3-7H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyXVLUHBWSQJUTNF-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.76
Rot. Bonds7

About N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide

N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide (PubChem CID 60843110) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide
PubChem CID60843110
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide
SMILESCCNC(=O)CNC(=O)CCCNC
InChIInChI=1S/C9H19N3O2/c1-3-11-9(14)7-12-8(13)5-4-6-10-2/h10H,3-7H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyXVLUHBWSQJUTNF-UHFFFAOYSA-N
XLogP-0.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide
CID 63309569
N,N'-diethylnonanediamide
CID 89048639
N-ethyl-2-(methylamino)acetamide;hydrochloride
CID 18526161
N-(cyanomethyl)-4-(methylamino)butanamide
CID 61254467
4-[(2-aminoacetyl)amino]-N-ethylbutanamide
CID 138468390
N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride
CID 119822011
N-[3-(methylamino)propyl]butanamide
CID 43600791
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
N-[2-(nonylamino)-2-oxoethyl]decanamide
CID 166872339
N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide
CID 65107193
3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 175713469
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
CID 115738133

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide (CID 60843110) is N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide is CCNC(=O)CNC(=O)CCCNC.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide?
The InChIKey is XVLUHBWSQJUTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-3-11-9(14)7-12-8(13)5-4-6-10-2/h10H,3-7H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide?
N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide has a molecular weight of 201.27 g/mol, XLogP of -0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide is sourced from PubChem (CID 60843110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).