N-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide

C19H33N5O4 — CID 166894956

IUPACN-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide
SMILESCNCC(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCC2(CCN(C=O)C2)C1
InChIInChI=1S/C19H33N5O4/c1-14(2)8-15(22-16(26)9-20-3)18(28)21-10-17(27)24-7-5-19(12-24)4-6-23(11-19)13-25/h13-15,20H,4-12H2,1-3H3,(H,21,28)(H,22,26)
InChIKeySSWAPOLHMWGPKI-UHFFFAOYSA-N
MW395.50 g/mol
LogP-1.07
Rot. Bonds9

About N-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide

N-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide (PubChem CID 166894956) has the molecular formula C19H33N5O4 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide
PubChem CID166894956
Molecular FormulaC19H33N5O4
Molecular Weight395.50 g/mol
Exact Mass395.25
IUPAC NameN-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide
SMILESCNCC(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCC2(CCN(C=O)C2)C1
InChIInChI=1S/C19H33N5O4/c1-14(2)8-15(22-16(26)9-20-3)18(28)21-10-17(27)24-7-5-19(12-24)4-6-23(11-19)13-25/h13-15,20H,4-12H2,1-3H3,(H,21,28)(H,22,26)
InChIKeySSWAPOLHMWGPKI-UHFFFAOYSA-N
XLogP-1.07
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide 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

4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide
CID 166894928
tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate
CID 166894911
4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide
CID 166894997
N-[2-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-oxoethyl]-2-[[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]amino]-4-methylpentanamide
CID 137433158
tert-butyl N-[1-[[2-[[4-methyl-1-[[2-[2-(3-methylsulfanylazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 137433125
2-[[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]amino]-4-methyl-N-[2-oxo-2-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)ethyl]pentanamide
CID 146625876
N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide
CID 122138775
methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate
CID 43229599
N-methyl-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 146624355
2-[[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]amino]-4-methyl-N-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pentanamide
CID 137433204
2-[(2-aminoacetyl)amino]-N-(2-hydrazinyl-2-oxoethyl)-4-methylpentanamide
CID 178118398
2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 156795215

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide?
The IUPAC name of N-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide (CID 166894956) is N-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide.
What is the SMILES notation for N-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide?
The canonical SMILES for N-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide is CNCC(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCC2(CCN(C=O)C2)C1.
What is the InChIKey of N-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide?
The InChIKey is SSWAPOLHMWGPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O4/c1-14(2)8-15(22-16(26)9-20-3)18(28)21-10-17(27)24-7-5-19(12-24)4-6-23(11-19)13-25/h13-15,20H,4-12H2,1-3H3,(H,21,28)(H,22,26).
What are the key properties of N-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide?
N-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide has a molecular weight of 395.50 g/mol, XLogP of -1.07, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide is sourced from PubChem (CID 166894956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).