(3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide

C24H40N2O2 — CID 7642717

IUPAC(3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide
SMILESCCN(CC)CCCNC(=O)C[C@@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1
InChIInChI=1S/C24H40N2O2/c1-6-26(7-2)15-8-14-25-23(27)17-22(20-11-9-19(3)10-12-20)21-13-16-28-24(4,5)18-21/h9-12,21-22H,6-8,13-18H2,1-5H3,(H,25,27)/t21-,22+/m1/s1
InChIKeyKWYSEVUPMHGZGK-YADHBBJMSA-N
MW388.60 g/mol
LogP4.52
Rot. Bonds10

About (3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide

(3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide (PubChem CID 7642717) has the molecular formula C24H40N2O2 and a molecular weight of 388.60 g/mol. Its IUPAC name is (3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide
PubChem CID7642717
Molecular FormulaC24H40N2O2
Molecular Weight388.60 g/mol
Exact Mass388.31
IUPAC Name(3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide
SMILESCCN(CC)CCCNC(=O)C[C@@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1
InChIInChI=1S/C24H40N2O2/c1-6-26(7-2)15-8-14-25-23(27)17-22(20-11-9-19(3)10-12-20)21-13-16-28-24(4,5)18-21/h9-12,21-22H,6-8,13-18H2,1-5H3,(H,25,27)/t21-,22+/m1/s1
InChIKeyKWYSEVUPMHGZGK-YADHBBJMSA-N
XLogP4.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide?
The IUPAC name of (3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide (CID 7642717) is (3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for (3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for (3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide is CCN(CC)CCCNC(=O)C[C@@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1.
What is the InChIKey of (3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide?
The InChIKey is KWYSEVUPMHGZGK-YADHBBJMSA-N. The full InChI is InChI=1S/C24H40N2O2/c1-6-26(7-2)15-8-14-25-23(27)17-22(20-11-9-19(3)10-12-20)21-13-16-28-24(4,5)18-21/h9-12,21-22H,6-8,13-18H2,1-5H3,(H,25,27)/t21-,22+/m1/s1.
What are the key properties of (3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide?
(3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide has a molecular weight of 388.60 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(diethylamino)propyl]-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 7642717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).