4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide

C19H25N3O — CID 3069013

IUPAC4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H25N3O/c1-3-22(4-2)14-16-7-5-15(6-8-16)13-21-19(23)17-9-11-18(20)12-10-17/h5-12H,3-4,13-14,20H2,1-2H3,(H,21,23)
InChIKeyIDNSNCFIDWHSFA-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.04
Rot. Bonds7

About 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide

4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide (PubChem CID 3069013) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
PubChem CID3069013
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H25N3O/c1-3-22(4-2)14-16-7-5-15(6-8-16)13-21-19(23)17-9-11-18(20)12-10-17/h5-12H,3-4,13-14,20H2,1-2H3,(H,21,23)
InChIKeyIDNSNCFIDWHSFA-UHFFFAOYSA-N
XLogP3.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 8948215
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 18154708
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
CID 17478307
4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 55428597
N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide
CID 60892970
N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46655947
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-3-methoxybenzamide
CID 8948247
methyl 4-[[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 34673655
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24504538

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide (CID 3069013) is 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide is CCN(CC)Cc1ccc(CNC(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide?
The InChIKey is IDNSNCFIDWHSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-22(4-2)14-16-7-5-15(6-8-16)13-21-19(23)17-9-11-18(20)12-10-17/h5-12H,3-4,13-14,20H2,1-2H3,(H,21,23).
What are the key properties of 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide?
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide has a molecular weight of 311.43 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 3069013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).