N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide

C28H30N6O3 — CID 69318032

IUPACN-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)c1ccccc1-n1cnnn1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C28H30N6O3/c1-2-23(35)12-4-3-5-14-25(28(37)30-22-17-16-20-10-6-7-11-21(20)18-22)31-27(36)24-13-8-9-15-26(24)34-19-29-32-33-34/h6-11,13,15-19,25H,2-5,12,14H2,1H3,(H,30,37)(H,31,36)/t25-/m0/s1
InChIKeyZIBAWPUHQUETLL-VWLOTQADSA-N
MW498.59 g/mol
LogP4.48
Rot. Bonds12

About N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide

N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide (PubChem CID 69318032) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide
PubChem CID69318032
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC NameN-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)c1ccccc1-n1cnnn1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C28H30N6O3/c1-2-23(35)12-4-3-5-14-25(28(37)30-22-17-16-20-10-6-7-11-21(20)18-22)31-27(36)24-13-8-9-15-26(24)34-19-29-32-33-34/h6-11,13,15-19,25H,2-5,12,14H2,1H3,(H,30,37)(H,31,36)/t25-/m0/s1
InChIKeyZIBAWPUHQUETLL-VWLOTQADSA-N
XLogP4.48
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide
CID 69322278
N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide
CID 78773489
N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374
[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid
CID 67268811
4-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-9-phenylnonan-2-yl]thiadiazole-5-carboxamide
CID 69319752
N-[2-[[(2S)-1-(3-acetylanilino)-1,8-dioxodecan-2-yl]amino]-2-oxoethyl]benzamide
CID 69318533
N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 46642572
N-[4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 3024355
(2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide
CID 69320613
(7S)-7-benzamido-8-oxo-8-(quinolin-6-ylamino)octanoic acid
CID 58840912
N-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide
CID 151667260
N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide
CID 51278223

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide (CID 69318032) is N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide is CCC(=O)CCCCC[C@H](NC(=O)c1ccccc1-n1cnnn1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is ZIBAWPUHQUETLL-VWLOTQADSA-N. The full InChI is InChI=1S/C28H30N6O3/c1-2-23(35)12-4-3-5-14-25(28(37)30-22-17-16-20-10-6-7-11-21(20)18-22)31-27(36)24-13-8-9-15-26(24)34-19-29-32-33-34/h6-11,13,15-19,25H,2-5,12,14H2,1H3,(H,30,37)(H,31,36)/t25-/m0/s1.
What are the key properties of N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide?
N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 498.59 g/mol, XLogP of 4.48, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 69318032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).