(1R)-1-[ethyl(methyl)amino]-1-phenyl-3-propylnonan-2-one

C21H35NO — CID 130436491

IUPAC(1R)-1-[ethyl(methyl)amino]-1-phenyl-3-propylnonan-2-one
SMILESCCCCCCC(CCC)C(=O)[C@@H](c1ccccc1)N(C)CC
InChIInChI=1S/C21H35NO/c1-5-8-9-11-17-19(14-6-2)21(23)20(22(4)7-3)18-15-12-10-13-16-18/h10,12-13,15-16,19-20H,5-9,11,14,17H2,1-4H3/t19?,20-/m1/s1
InChIKeyZUMPTFXOOYQMQL-GFOWMXPYSA-N
MW317.52 g/mol
LogP5.64
Rot. Bonds12

About (1R)-1-[ethyl(methyl)amino]-1-phenyl-3-propylnonan-2-one

(1R)-1-[ethyl(methyl)amino]-1-phenyl-3-propylnonan-2-one (PubChem CID 130436491) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is (1R)-1-[ethyl(methyl)amino]-1-phenyl-3-propylnonan-2-one.

Molecular Properties

Compound Name(1R)-1-[ethyl(methyl)amino]-1-phenyl-3-propylnonan-2-one
PubChem CID130436491
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC Name(1R)-1-[ethyl(methyl)amino]-1-phenyl-3-propylnonan-2-one
SMILESCCCCCCC(CCC)C(=O)[C@@H](c1ccccc1)N(C)CC
InChIInChI=1S/C21H35NO/c1-5-8-9-11-17-19(14-6-2)21(23)20(22(4)7-3)18-15-12-10-13-16-18/h10,12-13,15-16,19-20H,5-9,11,14,17H2,1-4H3/t19?,20-/m1/s1
InChIKeyZUMPTFXOOYQMQL-GFOWMXPYSA-N
XLogP5.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[ethyl(methyl)amino]-1-phenylpropan-2-one
CID 66831262
N-ethyl-N-methylethanamine;1-phenylheptylbenzene
CID 18402602
benzyl 2-propyldecanoate
CID 175305414
2-pentyl-1-phenylheptan-1-one
CID 67882345
(3S)-3-amino-5-hexyl-1-phenyldodecan-4-one
CID 166946981
2-benzyldodecanoic acid
CID 14250629
1-[benzyl(methyl)amino]-3-hexylnonan-2-one
CID 129213407
[2-(2-propylheptanoyloxy)phenyl] 2-propylheptanoate
CID 90025511
22,24-di(henicosyl)pentatetracontan-23-one
CID 174350862
11,13-diheptyltricosan-12-one
CID 175328104
9,11-dipentylnonadecan-10-one
CID 174915946
1-phenylpentyl 2-hexyloctanoate
CID 129279315

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[ethyl(methyl)amino]-1-phenyl-3-propylnonan-2-one?
The IUPAC name of (1R)-1-[ethyl(methyl)amino]-1-phenyl-3-propylnonan-2-one (CID 130436491) is (1R)-1-[ethyl(methyl)amino]-1-phenyl-3-propylnonan-2-one.
What is the SMILES notation for (1R)-1-[ethyl(methyl)amino]-1-phenyl-3-propylnonan-2-one?
The canonical SMILES for (1R)-1-[ethyl(methyl)amino]-1-phenyl-3-propylnonan-2-one is CCCCCCC(CCC)C(=O)[C@@H](c1ccccc1)N(C)CC.
What is the InChIKey of (1R)-1-[ethyl(methyl)amino]-1-phenyl-3-propylnonan-2-one?
The InChIKey is ZUMPTFXOOYQMQL-GFOWMXPYSA-N. The full InChI is InChI=1S/C21H35NO/c1-5-8-9-11-17-19(14-6-2)21(23)20(22(4)7-3)18-15-12-10-13-16-18/h10,12-13,15-16,19-20H,5-9,11,14,17H2,1-4H3/t19?,20-/m1/s1.
What are the key properties of (1R)-1-[ethyl(methyl)amino]-1-phenyl-3-propylnonan-2-one?
(1R)-1-[ethyl(methyl)amino]-1-phenyl-3-propylnonan-2-one has a molecular weight of 317.52 g/mol, XLogP of 5.64, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[ethyl(methyl)amino]-1-phenyl-3-propylnonan-2-one is sourced from PubChem (CID 130436491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).