methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate

C18H21N3O2 — CID 2361352

IUPACmethyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate
SMILESCCN(Cc1ccccc1)c1ccc(C=NNC(=O)OC)cc1
InChIInChI=1S/C18H21N3O2/c1-3-21(14-16-7-5-4-6-8-16)17-11-9-15(10-12-17)13-19-20-18(22)23-2/h4-13H,3,14H2,1-2H3,(H,20,22)
InChIKeyYLBZBBQYXZHBQQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.40
Rot. Bonds6

About methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate

methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate (PubChem CID 2361352) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate
PubChem CID2361352
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Namemethyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate
SMILESCCN(Cc1ccccc1)c1ccc(C=NNC(=O)OC)cc1
InChIInChI=1S/C18H21N3O2/c1-3-21(14-16-7-5-4-6-8-16)17-11-9-15(10-12-17)13-19-20-18(22)23-2/h4-13H,3,14H2,1-2H3,(H,20,22)
InChIKeyYLBZBBQYXZHBQQ-UHFFFAOYSA-N
XLogP3.40
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-phenylacetamide
CID 110515251
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 7966329
[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]thiourea
CID 6902327
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 6901552
methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate
CID 112982866
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide
CID 4281813
N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline
CID 110839639
N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine
CID 2394003
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide
CID 110506592
1-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3-prop-2-enylthiourea
CID 2382134

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate?
The IUPAC name of methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate (CID 2361352) is methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate.
What is the SMILES notation for methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate?
The canonical SMILES for methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate is CCN(Cc1ccccc1)c1ccc(C=NNC(=O)OC)cc1.
What is the InChIKey of methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate?
The InChIKey is YLBZBBQYXZHBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-21(14-16-7-5-4-6-8-16)17-11-9-15(10-12-17)13-19-20-18(22)23-2/h4-13H,3,14H2,1-2H3,(H,20,22).
What are the key properties of methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate?
methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate has a molecular weight of 311.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate is sourced from PubChem (CID 2361352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).