4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride

C22H32ClN3O — CID 138396549

IUPAC4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride
SMILESCCN(CC)CCCN(C(=O)c1ccc(N)cc1)C(C)c1ccccc1.Cl
InChIInChI=1S/C22H31N3O.ClH/c1-4-24(5-2)16-9-17-25(18(3)19-10-7-6-8-11-19)22(26)20-12-14-21(23)15-13-20;/h6-8,10-15,18H,4-5,9,16-17,23H2,1-3H3;1H
InChIKeyDHYXMCWSJRUEHF-UHFFFAOYSA-N
MW389.97 g/mol
LogP4.63
Rot. Bonds9

About 4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride

4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride (PubChem CID 138396549) has the molecular formula C22H32ClN3O and a molecular weight of 389.97 g/mol. Its IUPAC name is 4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride
PubChem CID138396549
Molecular FormulaC22H32ClN3O
Molecular Weight389.97 g/mol
Exact Mass389.22
IUPAC Name4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride
SMILESCCN(CC)CCCN(C(=O)c1ccc(N)cc1)C(C)c1ccccc1.Cl
InChIInChI=1S/C22H31N3O.ClH/c1-4-24(5-2)16-9-17-25(18(3)19-10-7-6-8-11-19)22(26)20-12-14-21(23)15-13-20;/h6-8,10-15,18H,4-5,9,16-17,23H2,1-3H3;1H
InChIKeyDHYXMCWSJRUEHF-UHFFFAOYSA-N
XLogP4.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.97
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119723192
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871
N-[3-(diethylamino)propyl]-2,2-diphenyl-N-propan-2-ylacetamide
CID 3026496
4-aminobenzoic acid;2-chloro-N,N-diethylethanamine
CID 174922963
4-(diethylamino)butyl 4-aminobenzoate;hydrochloride
CID 131875080
4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride
CID 119672598
4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride
CID 119816015
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
2-amino-N-butyl-N-(1-phenylethyl)pentanamide
CID 119331563
1-phenylethyl(propyl)carbamic acid
CID 57360234
4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119732301

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride?
The IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride (CID 138396549) is 4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride is CCN(CC)CCCN(C(=O)c1ccc(N)cc1)C(C)c1ccccc1.Cl.
What is the InChIKey of 4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride?
The InChIKey is DHYXMCWSJRUEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O.ClH/c1-4-24(5-2)16-9-17-25(18(3)19-10-7-6-8-11-19)22(26)20-12-14-21(23)15-13-20;/h6-8,10-15,18H,4-5,9,16-17,23H2,1-3H3;1H.
What are the key properties of 4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride?
4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride is sourced from PubChem (CID 138396549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).