5-(diethylamino)-5-ethyl-1-phenylheptan-4-one

C19H31NO — CID 79059375

IUPAC5-(diethylamino)-5-ethyl-1-phenylheptan-4-one
SMILESCCN(CC)C(CC)(CC)C(=O)CCCc1ccccc1
InChIInChI=1S/C19H31NO/c1-5-19(6-2,20(7-3)8-4)18(21)16-12-15-17-13-10-9-11-14-17/h9-11,13-14H,5-8,12,15-16H2,1-4H3
InChIKeySHUVNMSJDYSCGD-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.48
Rot. Bonds10

About 5-(diethylamino)-5-ethyl-1-phenylheptan-4-one

5-(diethylamino)-5-ethyl-1-phenylheptan-4-one (PubChem CID 79059375) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 5-(diethylamino)-5-ethyl-1-phenylheptan-4-one.

Molecular Properties

Compound Name5-(diethylamino)-5-ethyl-1-phenylheptan-4-one
PubChem CID79059375
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name5-(diethylamino)-5-ethyl-1-phenylheptan-4-one
SMILESCCN(CC)C(CC)(CC)C(=O)CCCc1ccccc1
InChIInChI=1S/C19H31NO/c1-5-19(6-2,20(7-3)8-4)18(21)16-12-15-17-13-10-9-11-14-17/h9-11,13-14H,5-8,12,15-16H2,1-4H3
InChIKeySHUVNMSJDYSCGD-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-5-methoxy-1-phenylheptan-4-one
CID 116747402
2,2-dimethyl-7-phenylheptan-3-one
CID 13371233
5-phenylpentan-2-one
CID 16701
(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid
CID 70212067
2,2-dimethyl-N-phenylbutanamide;5,5-dimethyl-1-phenylheptan-4-one;ethane
CID 159590223
butylbenzene;carbonic acid
CID 158278492
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
(E)-N,N-diethyl-2-(2-phenylethyl)but-2-enamide
CID 11322547
carbonic acid;pentylbenzene
CID 157127683
4-phenylbutanoyl chloride
CID 11789865
4-phenyl-1-trimethylsilylbutan-1-one
CID 11138658
7,7-dimethyl-1-phenyloctan-4-one
CID 105093400

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-5-ethyl-1-phenylheptan-4-one?
The IUPAC name of 5-(diethylamino)-5-ethyl-1-phenylheptan-4-one (CID 79059375) is 5-(diethylamino)-5-ethyl-1-phenylheptan-4-one.
What is the SMILES notation for 5-(diethylamino)-5-ethyl-1-phenylheptan-4-one?
The canonical SMILES for 5-(diethylamino)-5-ethyl-1-phenylheptan-4-one is CCN(CC)C(CC)(CC)C(=O)CCCc1ccccc1.
What is the InChIKey of 5-(diethylamino)-5-ethyl-1-phenylheptan-4-one?
The InChIKey is SHUVNMSJDYSCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-19(6-2,20(7-3)8-4)18(21)16-12-15-17-13-10-9-11-14-17/h9-11,13-14H,5-8,12,15-16H2,1-4H3.
What are the key properties of 5-(diethylamino)-5-ethyl-1-phenylheptan-4-one?
5-(diethylamino)-5-ethyl-1-phenylheptan-4-one has a molecular weight of 289.46 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-5-ethyl-1-phenylheptan-4-one is sourced from PubChem (CID 79059375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).