[(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate

C21H18N2O3 — CID 6241092

IUPAC[(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
SMILESC/C(=N/OC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(C)cc1
InChIInChI=1S/C21H18N2O3/c1-14-10-12-17(13-11-14)20(24)15(2)23-26-21(25)22-19-9-5-7-16-6-3-4-8-18(16)19/h3-13H,1-2H3,(H,22,25)/b23-15-
InChIKeyLBIWYPXMAVHVGE-HAHDFKILSA-N
MW346.39 g/mol
LogP4.96
Rot. Bonds4

About [(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate

[(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate (PubChem CID 6241092) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is [(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name[(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
PubChem CID6241092
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name[(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
SMILESC/C(=N/OC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(C)cc1
InChIInChI=1S/C21H18N2O3/c1-14-10-12-17(13-11-14)20(24)15(2)23-26-21(25)22-19-9-5-7-16-6-3-4-8-18(16)19/h3-13H,1-2H3,(H,22,25)/b23-15-
InChIKeyLBIWYPXMAVHVGE-HAHDFKILSA-N
XLogP4.96
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[(3E)-3-(naphthalen-1-ylcarbamoyloxyimino)butan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
CID 43835675
[1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate
CID 4568499
[(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate
CID 6535809
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972044
ethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate
CID 90911005
4-(4-acetylphenyl)-N-naphthalen-1-ylbenzamide
CID 170421600
[(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate
CID 6949721
N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5099377
naphthalen-1-ylurea;hydrochloride
CID 141142203
(N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate
CID 68502667
1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate
CID 67868291
N'-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5078091

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate?
The IUPAC name of [(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate (CID 6241092) is [(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate.
What is the SMILES notation for [(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate?
The canonical SMILES for [(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate is C/C(=N/OC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(C)cc1.
What is the InChIKey of [(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate?
The InChIKey is LBIWYPXMAVHVGE-HAHDFKILSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-14-10-12-17(13-11-14)20(24)15(2)23-26-21(25)22-19-9-5-7-16-6-3-4-8-18(16)19/h3-13H,1-2H3,(H,22,25)/b23-15-.
What are the key properties of [(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate?
[(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate has a molecular weight of 346.39 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 6241092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).