[(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium

C21H29N4O4+ — CID 7020107

IUPAC[(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium
SMILESCOc1cc(NC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)cc2ccccc12
InChIInChI=1S/C21H28N4O4/c1-13(2)8-17(22)21(28)24-11-19(26)23-12-20(27)25-15-9-14-6-4-5-7-16(14)18(10-15)29-3/h4-7,9-10,13,17H,8,11-12,22H2,1-3H3,(H,23,26)(H,24,28)(H,25,27)/p+1/t17-/m0/s1
InChIKeyUWBLVTOZNPEUFV-KRWDZBQOSA-O
MW401.49 g/mol
LogP0.68
Rot. Bonds9

About [(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium

[(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium (PubChem CID 7020107) has the molecular formula C21H29N4O4+ and a molecular weight of 401.49 g/mol. Its IUPAC name is [(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium
PubChem CID7020107
Molecular FormulaC21H29N4O4+
Molecular Weight401.49 g/mol
Exact Mass401.22
IUPAC Name[(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium
SMILESCOc1cc(NC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)cc2ccccc12
InChIInChI=1S/C21H28N4O4/c1-13(2)8-17(22)21(28)24-11-19(26)23-12-20(27)25-15-9-14-6-4-5-7-16(14)18(10-15)29-3/h4-7,9-10,13,17H,8,11-12,22H2,1-3H3,(H,23,26)(H,24,28)(H,25,27)/p+1/t17-/m0/s1
InChIKeyUWBLVTOZNPEUFV-KRWDZBQOSA-O
XLogP0.68
TPSA124.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride
CID 3014281
[(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium
CID 86308285
2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid
CID 4060966
[4-azaniumyl-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentyl]-(diaminomethylidene)azanium
CID 176516516
(3S)-3-amino-4-[(4-methoxynaphthalen-2-yl)amino]-4-oxobutanoic acid
CID 7021432
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 112999279
N-(2-anilino-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55836388
N-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide
CID 18603775
(2S)-2,6-diamino-N-[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]hexanamide;dihydrochloride
CID 71771494
2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 5048859
2,6-diamino-N-[1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]hexanamide;dihydrochloride
CID 171326285
1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea
CID 166327902

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium?
The IUPAC name of [(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium (CID 7020107) is [(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium?
The canonical SMILES for [(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium is COc1cc(NC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)cc2ccccc12.
What is the InChIKey of [(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium?
The InChIKey is UWBLVTOZNPEUFV-KRWDZBQOSA-O. The full InChI is InChI=1S/C21H28N4O4/c1-13(2)8-17(22)21(28)24-11-19(26)23-12-20(27)25-15-9-14-6-4-5-7-16(14)18(10-15)29-3/h4-7,9-10,13,17H,8,11-12,22H2,1-3H3,(H,23,26)(H,24,28)(H,25,27)/p+1/t17-/m0/s1.
What are the key properties of [(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium?
[(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium has a molecular weight of 401.49 g/mol, XLogP of 0.68, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium is sourced from PubChem (CID 7020107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).