2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide

C22H32N4O2 — CID 142171716

IUPAC2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide
SMILESCCN(CC)CCCOc1ccc(CNC(=O)c2ccccc2N(C)N)cc1
InChIInChI=1S/C22H32N4O2/c1-4-26(5-2)15-8-16-28-19-13-11-18(12-14-19)17-24-22(27)20-9-6-7-10-21(20)25(3)23/h6-7,9-14H,4-5,8,15-17,23H2,1-3H3,(H,24,27)
InChIKeyDMFQMVPHVVNAKT-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.04
Rot. Bonds11

About 2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide

2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide (PubChem CID 142171716) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide
PubChem CID142171716
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide
SMILESCCN(CC)CCCOc1ccc(CNC(=O)c2ccccc2N(C)N)cc1
InChIInChI=1S/C22H32N4O2/c1-4-26(5-2)15-8-16-28-19-13-11-18(12-14-19)17-24-22(27)20-9-6-7-10-21(20)25(3)23/h6-7,9-14H,4-5,8,15-17,23H2,1-3H3,(H,24,27)
InChIKeyDMFQMVPHVVNAKT-UHFFFAOYSA-N
XLogP3.04
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride
CID 119946524
5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide
CID 120642057
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide
CID 15137011
2-(4-aminophenyl)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide;dihydrochloride
CID 119848317
N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide
CID 4941063
N-benzyl-2-[[4-(2-methoxyethoxy)benzoyl]carbamothioyl-methylamino]benzamide
CID 17353821
2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
CID 83332704
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide
CID 4960086
2-bromo-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 86591969
methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138
2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide
CID 112836023

Frequently Asked Questions

What is the IUPAC name of 2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide?
The IUPAC name of 2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide (CID 142171716) is 2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide.
What is the SMILES notation for 2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide?
The canonical SMILES for 2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide is CCN(CC)CCCOc1ccc(CNC(=O)c2ccccc2N(C)N)cc1.
What is the InChIKey of 2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide?
The InChIKey is DMFQMVPHVVNAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-4-26(5-2)15-8-16-28-19-13-11-18(12-14-19)17-24-22(27)20-9-6-7-10-21(20)25(3)23/h6-7,9-14H,4-5,8,15-17,23H2,1-3H3,(H,24,27).
What are the key properties of 2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide?
2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide has a molecular weight of 384.52 g/mol, XLogP of 3.04, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide is sourced from PubChem (CID 142171716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).