N-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide

C18H23N3O2 — CID 91676464

IUPACN-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(OC)c2)cc1N
InChIInChI=1S/C18H23N3O2/c1-4-21(5-2)17-10-9-14(12-16(17)19)20-18(22)13-7-6-8-15(11-13)23-3/h6-12H,4-5,19H2,1-3H3,(H,20,22)
InChIKeyVAMNFMALHTULGV-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.38
Rot. Bonds6

About N-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide

N-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide (PubChem CID 91676464) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide
PubChem CID91676464
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(OC)c2)cc1N
InChIInChI=1S/C18H23N3O2/c1-4-21(5-2)17-10-9-14(12-16(17)19)20-18(22)13-7-6-8-15(11-13)23-3/h6-12H,4-5,19H2,1-3H3,(H,20,22)
InChIKeyVAMNFMALHTULGV-UHFFFAOYSA-N
XLogP3.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-bromophenyl)-3-methoxybenzamide
CID 82861399
N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide
CID 91676407
N-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide
CID 91676475
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide
CID 50878655
N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide
CID 91676108
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-methoxybenzamide
CID 122296586
N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide
CID 113035591

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide (CID 91676464) is N-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide is CCN(CC)c1ccc(NC(=O)c2cccc(OC)c2)cc1N.
What is the InChIKey of N-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide?
The InChIKey is VAMNFMALHTULGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-21(5-2)17-10-9-14(12-16(17)19)20-18(22)13-7-6-8-15(11-13)23-3/h6-12H,4-5,19H2,1-3H3,(H,20,22).
What are the key properties of N-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide?
N-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 91676464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).