N-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide

C25H33N3O4 — CID 123315139

IUPACN-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide
SMILESCC(NC(=O)C(NC(=O)c1cccc2ccccc12)C(C)(C)C)C(=O)NC(C=O)C(C)C
InChIInChI=1S/C25H33N3O4/c1-15(2)20(14-29)27-22(30)16(3)26-24(32)21(25(4,5)6)28-23(31)19-13-9-11-17-10-7-8-12-18(17)19/h7-16,20-21H,1-6H3,(H,26,32)(H,27,30)(H,28,31)
InChIKeyUCKWLTDBICFLJW-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.83
Rot. Bonds8

About N-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide

N-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide (PubChem CID 123315139) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide
PubChem CID123315139
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide
SMILESCC(NC(=O)C(NC(=O)c1cccc2ccccc12)C(C)(C)C)C(=O)NC(C=O)C(C)C
InChIInChI=1S/C25H33N3O4/c1-15(2)20(14-29)27-22(30)16(3)26-24(32)21(25(4,5)6)28-23(31)19-13-9-11-17-10-7-8-12-18(17)19/h7-16,20-21H,1-6H3,(H,26,32)(H,27,30)(H,28,31)
InChIKeyUCKWLTDBICFLJW-UHFFFAOYSA-N
XLogP2.83
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide 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

N-[1-[[1-[[1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]naphthalene-1-carboxamide
CID 77473459
(3S)-3-[[(2S)-2-[[(2S)-3-methyl-2-(naphthalene-1-carbonylamino)butanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 59044000
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]naphthalene-1-carboxamide
CID 95160649
N-(1-amino-4,4-dimethylpentan-3-yl)naphthalene-1-carboxamide
CID 106357235
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N-[(2R)-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
CID 56598017
2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid
CID 77473542
N-(5-bromopentan-2-yl)naphthalene-1-carboxamide
CID 113276035
N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide
CID 169183052
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249
N-[(3aR,6S,6aS)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide
CID 126570628

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide (CID 123315139) is N-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide is CC(NC(=O)C(NC(=O)c1cccc2ccccc12)C(C)(C)C)C(=O)NC(C=O)C(C)C.
What is the InChIKey of N-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide?
The InChIKey is UCKWLTDBICFLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-15(2)20(14-29)27-22(30)16(3)26-24(32)21(25(4,5)6)28-23(31)19-13-9-11-17-10-7-8-12-18(17)19/h7-16,20-21H,1-6H3,(H,26,32)(H,27,30)(H,28,31).
What are the key properties of N-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide?
N-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 123315139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).