tert-butyl N-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamate

C14H19N3O4 — CID 143488453

IUPACtert-butyl N-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamate
SMILESC/C(=N/N(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-10(11-7-6-8-12(9-11)17(19)20)15-16(5)13(18)21-14(2,3)4/h6-9H,1-5H3/b15-10-
InChIKeyBICMHUAHNCCNPI-GDNBJRDFSA-N
MW293.32 g/mol
LogP3.19
Rot. Bonds3

About tert-butyl N-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamate

tert-butyl N-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamate (PubChem CID 143488453) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamate
PubChem CID143488453
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nametert-butyl N-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamate
SMILESC/C(=N/N(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-10(11-7-6-8-12(9-11)17(19)20)15-16(5)13(18)21-14(2,3)4/h6-9H,1-5H3/b15-10-
InChIKeyBICMHUAHNCCNPI-GDNBJRDFSA-N
XLogP3.19
TPSA85.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047
1-(3-nitrophenyl)ethanone;(E)-1-(3-nitrophenyl)ethylidenehydrazine
CID 172958037
tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-(3-nitrophenyl)carbamate
CID 19104095
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(3-nitrophenyl)propanoic acid
CID 25232734
(2Z)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-2-(3-nitrophenyl)acetic acid
CID 19418728
N,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide
CID 146170231
N-tert-butyl-3-nitrobenzohydrazide
CID 134113421
cycloheptane;1-(3-nitrophenyl)ethanone
CID 142103484
tert-butyl N-[3-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 27662819
4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzoic acid
CID 3974625
2-(dimethylamino)-1-(3-nitrophenyl)ethanone
CID 43219662

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamate (CID 143488453) is tert-butyl N-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamate is C/C(=N/N(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of tert-butyl N-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamate?
The InChIKey is BICMHUAHNCCNPI-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10(11-7-6-8-12(9-11)17(19)20)15-16(5)13(18)21-14(2,3)4/h6-9H,1-5H3/b15-10-.
What are the key properties of tert-butyl N-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamate?
tert-butyl N-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamate has a molecular weight of 293.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamate is sourced from PubChem (CID 143488453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).