N-(3-aminophenyl)-N-formyl-6-methylcyclohexa-1,5-diene-1-carboxamide

C15H16N2O2 — CID 144601912

IUPACN-(3-aminophenyl)-N-formyl-6-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCC1=CCCC=C1C(=O)N(C=O)c1cccc(N)c1
InChIInChI=1S/C15H16N2O2/c1-11-5-2-3-8-14(11)15(19)17(10-18)13-7-4-6-12(16)9-13/h4-10H,2-3,16H2,1H3
InChIKeyXZNBVJOUYOURRX-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.42
Rot. Bonds3

About N-(3-aminophenyl)-N-formyl-6-methylcyclohexa-1,5-diene-1-carboxamide

N-(3-aminophenyl)-N-formyl-6-methylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 144601912) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-formyl-6-methylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-formyl-6-methylcyclohexa-1,5-diene-1-carboxamide
PubChem CID144601912
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-(3-aminophenyl)-N-formyl-6-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCC1=CCCC=C1C(=O)N(C=O)c1cccc(N)c1
InChIInChI=1S/C15H16N2O2/c1-11-5-2-3-8-14(11)15(19)17(10-18)13-7-4-6-12(16)9-13/h4-10H,2-3,16H2,1H3
InChIKeyXZNBVJOUYOURRX-UHFFFAOYSA-N
XLogP2.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-N,6-dimethylpyridine-2-carboxamide
CID 61297130
N-(3-aminophenyl)-N-(4-aminophenyl)formamide
CID 174804082
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CID 61296197
3-N-[4-(3-amino-N-methylanilino)phenyl]-3-N-methylbenzene-1,3-diamine
CID 70215054
N-(3-aminophenyl)-N,2,3-trimethylbenzamide
CID 61296941
3-methylaniline;N-methyl-N-phenylformamide
CID 174963220
N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide
CID 63229837
N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39357021
N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide
CID 61296378
N-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide
CID 154145322
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
benzene-1,3-diamine
CID 7935

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-formyl-6-methylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-(3-aminophenyl)-N-formyl-6-methylcyclohexa-1,5-diene-1-carboxamide (CID 144601912) is N-(3-aminophenyl)-N-formyl-6-methylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-N-formyl-6-methylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-N-formyl-6-methylcyclohexa-1,5-diene-1-carboxamide is CC1=CCCC=C1C(=O)N(C=O)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-formyl-6-methylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is XZNBVJOUYOURRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-5-2-3-8-14(11)15(19)17(10-18)13-7-4-6-12(16)9-13/h4-10H,2-3,16H2,1H3.
What are the key properties of N-(3-aminophenyl)-N-formyl-6-methylcyclohexa-1,5-diene-1-carboxamide?
N-(3-aminophenyl)-N-formyl-6-methylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-formyl-6-methylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144601912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).