[(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate

C29H36N2O2 — CID 6535809

IUPAC[(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate
SMILESCCCCCCCCCCC/C(=N/OC(=O)Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C29H36N2O2/c1-2-3-4-5-6-7-8-9-13-22-27(25-18-11-10-12-19-25)31-33-29(32)30-28-23-16-20-24-17-14-15-21-26(24)28/h10-12,14-21,23H,2-9,13,22H2,1H3,(H,30,32)/b31-27-
InChIKeyGPXMRNKQLFVUES-QVTSOHHYSA-N
MW444.62 g/mol
LogP8.71
Rot. Bonds13

About [(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate

[(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate (PubChem CID 6535809) has the molecular formula C29H36N2O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is [(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name[(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate
PubChem CID6535809
Molecular FormulaC29H36N2O2
Molecular Weight444.62 g/mol
Exact Mass444.28
IUPAC Name[(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate
SMILESCCCCCCCCCCC/C(=N/OC(=O)Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C29H36N2O2/c1-2-3-4-5-6-7-8-9-13-22-27(25-18-11-10-12-19-25)31-33-29(32)30-28-23-16-20-24-17-14-15-21-26(24)28/h10-12,14-21,23H,2-9,13,22H2,1H3,(H,30,32)/b31-27-
InChIKeyGPXMRNKQLFVUES-QVTSOHHYSA-N
XLogP8.71
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 58.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
N-naphthalen-1-yldodecanamide
CID 588517
methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate
CID 127261696
(1-phenylhexylideneamino) 4-phenylbenzoate
CID 3098243
N-methoxy-1-phenylhexan-1-imine
CID 141496906
[(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
CID 6241092
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
N-(naphthalen-1-ylcarbamothioyl)undecanamide
CID 166518646
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
[1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate
CID 4164861

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate?
The IUPAC name of [(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate (CID 6535809) is [(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate.
What is the SMILES notation for [(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate?
The canonical SMILES for [(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate is CCCCCCCCCCC/C(=N/OC(=O)Nc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of [(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate?
The InChIKey is GPXMRNKQLFVUES-QVTSOHHYSA-N. The full InChI is InChI=1S/C29H36N2O2/c1-2-3-4-5-6-7-8-9-13-22-27(25-18-11-10-12-19-25)31-33-29(32)30-28-23-16-20-24-17-14-15-21-26(24)28/h10-12,14-21,23H,2-9,13,22H2,1H3,(H,30,32)/b31-27-.
What are the key properties of [(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate?
[(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate has a molecular weight of 444.62 g/mol, XLogP of 8.71, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 6535809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).