[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium

C15H22N3O4+ — CID 8772437

IUPAC[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C15H21N3O4/c1-10(2)22-15(21)11-4-6-12(7-5-11)18-14(20)9-17-8-13(19)16-3/h4-7,10,17H,8-9H2,1-3H3,(H,16,19)(H,18,20)/p+1
InChIKeyNWTCSKFNKISNAC-UHFFFAOYSA-O
MW308.36 g/mol
LogP-0.50
Rot. Bonds7

About [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium

[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium (PubChem CID 8772437) has the molecular formula C15H22N3O4+ and a molecular weight of 308.36 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
PubChem CID8772437
Molecular FormulaC15H22N3O4+
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C15H21N3O4/c1-10(2)22-15(21)11-4-6-12(7-5-11)18-14(20)9-17-8-13(19)16-3/h4-7,10,17H,8-9H2,1-3H3,(H,16,19)(H,18,20)/p+1
InChIKeyNWTCSKFNKISNAC-UHFFFAOYSA-O
XLogP-0.50
TPSA101.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium with MolForge

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Related Compounds

[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium
CID 8898094
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 8755919
[2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8771641
2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid
CID 60662033
propan-2-yl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732145
[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium
CID 8771949
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
CID 7965181
propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate
CID 79843320
propan-2-yl 4-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzoate
CID 9166836
propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 26716884
propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 718367
propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate
CID 19220464

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium?
The IUPAC name of [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium (CID 8772437) is [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium?
The canonical SMILES for [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium is CNC(=O)C[NH2+]CC(=O)Nc1ccc(C(=O)OC(C)C)cc1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium?
The InChIKey is NWTCSKFNKISNAC-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N3O4/c1-10(2)22-15(21)11-4-6-12(7-5-11)18-14(20)9-17-8-13(19)16-3/h4-7,10,17H,8-9H2,1-3H3,(H,16,19)(H,18,20)/p+1.
What are the key properties of [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium?
[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium has a molecular weight of 308.36 g/mol, XLogP of -0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium is sourced from PubChem (CID 8772437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).