2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide

C9H18N4O3 — CID 60963300

IUPAC2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide
SMILESCCNC(=O)CN(C)C(=O)C(N)CC(N)=O
InChIInChI=1S/C9H18N4O3/c1-3-12-8(15)5-13(2)9(16)6(10)4-7(11)14/h6H,3-5,10H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyBFMSLFJGSWIQEM-UHFFFAOYSA-N
MW230.27 g/mol
LogP-2.22
Rot. Bonds6

About 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide

2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide (PubChem CID 60963300) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide.

Molecular Properties

Compound Name2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide
PubChem CID60963300
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide
SMILESCCNC(=O)CN(C)C(=O)C(N)CC(N)=O
InChIInChI=1S/C9H18N4O3/c1-3-12-8(15)5-13(2)9(16)6(10)4-7(11)14/h6H,3-5,10H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyBFMSLFJGSWIQEM-UHFFFAOYSA-N
XLogP-2.22
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-2.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide
CID 103795683
2-[(2,4-diamino-4-oxobutanoyl)-methylamino]acetic acid
CID 61157104
3-amino-4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-4-oxobutanoic acid
CID 64894367
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
CID 79025132
2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
CID 43649583
2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 106151379
(2R)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide
CID 107570541
4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid
CID 64890082
2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 62472504
(2R)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpentanamide
CID 93373594
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide
CID 60962649
3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide
CID 60948700

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide?
The IUPAC name of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide (CID 60963300) is 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide.
What is the SMILES notation for 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide?
The canonical SMILES for 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide is CCNC(=O)CN(C)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide?
The InChIKey is BFMSLFJGSWIQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-3-12-8(15)5-13(2)9(16)6(10)4-7(11)14/h6H,3-5,10H2,1-2H3,(H2,11,14)(H,12,15).
What are the key properties of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide?
2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide has a molecular weight of 230.27 g/mol, XLogP of -2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide is sourced from PubChem (CID 60963300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).