N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide

C27H29N3O2 — CID 22951581

IUPACN-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc2ccccc2c1)C(=O)NC(C#N)CCc1ccccc1
InChIInChI=1S/C27H29N3O2/c1-19(2)16-25(27(32)29-24(18-28)15-12-20-8-4-3-5-9-20)30-26(31)23-14-13-21-10-6-7-11-22(21)17-23/h3-11,13-14,17,19,24-25H,12,15-16H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyGFXCQATURMOFPK-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.63
Rot. Bonds9

About N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide

N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide (PubChem CID 22951581) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
PubChem CID22951581
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc2ccccc2c1)C(=O)NC(C#N)CCc1ccccc1
InChIInChI=1S/C27H29N3O2/c1-19(2)16-25(27(32)29-24(18-28)15-12-20-8-4-3-5-9-20)30-26(31)23-14-13-21-10-6-7-11-22(21)17-23/h3-11,13-14,17,19,24-25H,12,15-16H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyGFXCQATURMOFPK-UHFFFAOYSA-N
XLogP4.63
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide with MolForge

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Related Compounds

[1-[(1-cyano-2-phenylmethoxyethyl)amino]-4-methyl-1-oxopentan-2-yl] naphthalene-2-carboxylate
CID 23589346
N-[4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 3024355
(2R)-2-[[(2S)-4-methyl-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-(naphthalene-2-carbonylamino)butanoic acid
CID 10370227
(2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid
CID 142659232
N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide
CID 114300984
N-[(2S)-1-[[(2S,3S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
CID 3010367
N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
CID 70082959
N-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
CID 56989054
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565
3-(aminomethyl)-N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 85049886
N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide
CID 122529662

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide (CID 22951581) is N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide is CC(C)CC(NC(=O)c1ccc2ccccc2c1)C(=O)NC(C#N)CCc1ccccc1.
What is the InChIKey of N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide?
The InChIKey is GFXCQATURMOFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-19(2)16-25(27(32)29-24(18-28)15-12-20-8-4-3-5-9-20)30-26(31)23-14-13-21-10-6-7-11-22(21)17-23/h3-11,13-14,17,19,24-25H,12,15-16H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide?
N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 22951581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).