[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid

C22H27N3O5 — CID 67268811

IUPAC[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid
SMILESCCC(=O)CCCCC[C@H](NC(=O)O)C(=O)NNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H27N3O5/c1-2-18(26)10-4-3-5-11-19(23-22(29)30)21(28)25-24-20(27)17-13-12-15-8-6-7-9-16(15)14-17/h6-9,12-14,19,23H,2-5,10-11H2,1H3,(H,24,27)(H,25,28)(H,29,30)/t19-/m0/s1
InChIKeyARPVQJZMJNHBCA-IBGZPJMESA-N
MW413.47 g/mol
LogP3.17
Rot. Bonds10

About [(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid

[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid (PubChem CID 67268811) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is [(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid
PubChem CID67268811
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid
SMILESCCC(=O)CCCCC[C@H](NC(=O)O)C(=O)NNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H27N3O5/c1-2-18(26)10-4-3-5-11-19(23-22(29)30)21(28)25-24-20(27)17-13-12-15-8-6-7-9-16(15)14-17/h6-9,12-14,19,23H,2-5,10-11H2,1H3,(H,24,27)(H,25,28)(H,29,30)/t19-/m0/s1
InChIKeyARPVQJZMJNHBCA-IBGZPJMESA-N
XLogP3.17
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide
CID 69322278
(2S)-N-cyclopentyl-8-oxo-2-[(2-phenylacetyl)amino]decanamide
CID 69321917
N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 69318032
7-methyl-1-naphthalen-2-ylnonane-1,8-dione
CID 59908425
N-[2-[[(2S)-1-(3-acetylanilino)-1,8-dioxodecan-2-yl]amino]-2-oxoethyl]benzamide
CID 69318533
N-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide
CID 151667260
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
CID 54513086
N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide
CID 73058110
N-[2-[[1,8-dioxo-1-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]decan-2-yl]amino]-2-oxoethyl]benzamide
CID 69328169
(2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide
CID 69319634
diethyl 2-[[5-[(1,5-diethoxy-1,5-dioxopentan-2-yl)amino]-4-(naphthalene-2-carbonylamino)-5-oxopentanoyl]amino]pentanedioate
CID 102088016

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid (CID 67268811) is [(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid is CCC(=O)CCCCC[C@H](NC(=O)O)C(=O)NNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of [(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid?
The InChIKey is ARPVQJZMJNHBCA-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O5/c1-2-18(26)10-4-3-5-11-19(23-22(29)30)21(28)25-24-20(27)17-13-12-15-8-6-7-9-16(15)14-17/h6-9,12-14,19,23H,2-5,10-11H2,1H3,(H,24,27)(H,25,28)(H,29,30)/t19-/m0/s1.
What are the key properties of [(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid?
[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid has a molecular weight of 413.47 g/mol, XLogP of 3.17, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid is sourced from PubChem (CID 67268811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).