N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide

C16H20N4O — CID 174393295

IUPACN-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(CN)c(N)c2)c1
InChIInChI=1S/C16H20N4O/c1-20(2)14-5-3-4-11(8-14)16(21)19-13-7-6-12(10-17)15(18)9-13/h3-9H,10,17-18H2,1-2H3,(H,19,21)
InChIKeyGAXYEHRRBNETSN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.05
Rot. Bonds4

About N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide

N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide (PubChem CID 174393295) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide
PubChem CID174393295
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(CN)c(N)c2)c1
InChIInChI=1S/C16H20N4O/c1-20(2)14-5-3-4-11(8-14)16(21)19-13-7-6-12(10-17)15(18)9-13/h3-9H,10,17-18H2,1-2H3,(H,19,21)
InChIKeyGAXYEHRRBNETSN-UHFFFAOYSA-N
XLogP2.05
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 151119860
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
3-(dimethylamino)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629966
N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
CID 43329185
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
3-(dimethylamino)-N-(4-formylphenyl)benzamide
CID 106912114
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46437083
3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 110488278

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide (CID 174393295) is N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)Nc2ccc(CN)c(N)c2)c1.
What is the InChIKey of N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide?
The InChIKey is GAXYEHRRBNETSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20(2)14-5-3-4-11(8-14)16(21)19-13-7-6-12(10-17)15(18)9-13/h3-9H,10,17-18H2,1-2H3,(H,19,21).
What are the key properties of N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide?
N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 174393295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).