2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate

C11H22N4O3 — CID 59935073

IUPAC2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate
SMILESCCNC(=O)CC/C(=N/C)OCCNC(=O)CN
InChIInChI=1S/C11H22N4O3/c1-3-14-9(16)4-5-11(13-2)18-7-6-15-10(17)8-12/h3-8,12H2,1-2H3,(H,14,16)(H,15,17)/b13-11-
InChIKeyYGYXLGULEWGCMJ-QBFSEMIESA-N
MW258.32 g/mol
LogP-0.98
Rot. Bonds8

About 2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate

2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate (PubChem CID 59935073) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate
PubChem CID59935073
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate
SMILESCCNC(=O)CC/C(=N/C)OCCNC(=O)CN
InChIInChI=1S/C11H22N4O3/c1-3-14-9(16)4-5-11(13-2)18-7-6-15-10(17)8-12/h3-8,12H2,1-2H3,(H,14,16)(H,15,17)/b13-11-
InChIKeyYGYXLGULEWGCMJ-QBFSEMIESA-N
XLogP-0.98
TPSA105.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[(2-aminoacetyl)amino]-N-ethylbutanamide
CID 138468390
methyl 3-[(2-aminoacetyl)amino]propanoate
CID 60672581
3-dimethoxysilyl-N-ethylpropanamide
CID 173023917
2-amino-N-ethylacetamide;hydroxy-methyl-oxophosphanium
CID 88711481
3-(2-aminoethoxy)-N-ethylpropanamide
CID 62343432
2-(dodecanoylamino)ethyl 2-aminoacetate
CID 166463267
2-amino-N-[2-(2-ethoxyethylamino)-2-oxoethyl]acetamide
CID 60846761
N-[2-(aminomethoxy)ethyl]-4-oxohexanamide
CID 163442733
N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide
CID 178008548
2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-ethylacetamide
CID 123400101
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 145188206
3-(3-aminopropoxy)-N-ethylpropanamide
CID 62344045

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate?
The IUPAC name of 2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate (CID 59935073) is 2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate?
The canonical SMILES for 2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate is CCNC(=O)CC/C(=N/C)OCCNC(=O)CN.
What is the InChIKey of 2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate?
The InChIKey is YGYXLGULEWGCMJ-QBFSEMIESA-N. The full InChI is InChI=1S/C11H22N4O3/c1-3-14-9(16)4-5-11(13-2)18-7-6-15-10(17)8-12/h3-8,12H2,1-2H3,(H,14,16)(H,15,17)/b13-11-.
What are the key properties of 2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate?
2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate has a molecular weight of 258.32 g/mol, XLogP of -0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate is sourced from PubChem (CID 59935073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).