N-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide;hydrochloride

C24H33ClN2O — CID 3051479

IUPACN-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide;hydrochloride
SMILESCCC(=O)/N=C(\CC)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H32N2O.ClH/c1-6-22(25-23(27)7-2)24(18-19(3)26(4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21;/h8-17,19H,6-7,18H2,1-5H3;1H/b25-22+;
InChIKeyICGJIBUJOVPOBE-OSMRDGEFSA-N
MW400.99 g/mol
LogP5.52
Rot. Bonds8

About N-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide;hydrochloride

N-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide;hydrochloride (PubChem CID 3051479) has the molecular formula C24H33ClN2O and a molecular weight of 400.99 g/mol. Its IUPAC name is N-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide;hydrochloride
PubChem CID3051479
Molecular FormulaC24H33ClN2O
Molecular Weight400.99 g/mol
Exact Mass400.23
IUPAC NameN-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide;hydrochloride
SMILESCCC(=O)/N=C(\CC)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H32N2O.ClH/c1-6-22(25-23(27)7-2)24(18-19(3)26(4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21;/h8-17,19H,6-7,18H2,1-5H3;1H/b25-22+;
InChIKeyICGJIBUJOVPOBE-OSMRDGEFSA-N
XLogP5.52
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.99
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide;hydrochloride?
The IUPAC name of N-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide;hydrochloride (CID 3051479) is N-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide;hydrochloride.
What is the SMILES notation for N-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide;hydrochloride?
The canonical SMILES for N-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide;hydrochloride is CCC(=O)/N=C(\CC)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide;hydrochloride?
The InChIKey is ICGJIBUJOVPOBE-OSMRDGEFSA-N. The full InChI is InChI=1S/C24H32N2O.ClH/c1-6-22(25-23(27)7-2)24(18-19(3)26(4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21;/h8-17,19H,6-7,18H2,1-5H3;1H/b25-22+;.
What are the key properties of N-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide;hydrochloride?
N-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide;hydrochloride has a molecular weight of 400.99 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide;hydrochloride is sourced from PubChem (CID 3051479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).