(4S)-4-acetyl-N-[2-(dimethylamino)ethyl]-N-methyloctanamide

C15H30N2O2 — CID 158625774

IUPAC(4S)-4-acetyl-N-[2-(dimethylamino)ethyl]-N-methyloctanamide
SMILESCCCCC(CCC(=O)N(C)CCN(C)C)C(C)=O
InChIInChI=1S/C15H30N2O2/c1-6-7-8-14(13(2)18)9-10-15(19)17(5)12-11-16(3)4/h14H,6-12H2,1-5H3
InChIKeyRRXOQKHXAKIAMM-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.18
Rot. Bonds10

About (4S)-4-acetyl-N-[2-(dimethylamino)ethyl]-N-methyloctanamide

(4S)-4-acetyl-N-[2-(dimethylamino)ethyl]-N-methyloctanamide (PubChem CID 158625774) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (4S)-4-acetyl-N-[2-(dimethylamino)ethyl]-N-methyloctanamide.

Molecular Properties

Compound Name(4S)-4-acetyl-N-[2-(dimethylamino)ethyl]-N-methyloctanamide
PubChem CID158625774
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(4S)-4-acetyl-N-[2-(dimethylamino)ethyl]-N-methyloctanamide
SMILESCCCCC(CCC(=O)N(C)CCN(C)C)C(C)=O
InChIInChI=1S/C15H30N2O2/c1-6-7-8-14(13(2)18)9-10-15(19)17(5)12-11-16(3)4/h14H,6-12H2,1-5H3
InChIKeyRRXOQKHXAKIAMM-UHFFFAOYSA-N
XLogP2.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyl-6-hydroxyhept-6-en-2-one
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3-butylundecan-2-one
CID 10922232
5-amino-N-[2-(dimethylamino)ethyl]-N-methylhexanamide
CID 82852143
3-pentylnonan-2-one
CID 21290467
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
CID 63694639
N-(2-acetylhexyl)-N-hydroxyformamide
CID 142881718
CID 174952919
CID 174952919
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
12-acetyloctadecanoic acid
CID 23455085
3-(dimethylamino)propyl 2-butylheptanoate
CID 90858053
2-[3-(dimethylamino)propyl]tetradecanoic acid
CID 174886479

Frequently Asked Questions

What is the IUPAC name of (4S)-4-acetyl-N-[2-(dimethylamino)ethyl]-N-methyloctanamide?
The IUPAC name of (4S)-4-acetyl-N-[2-(dimethylamino)ethyl]-N-methyloctanamide (CID 158625774) is (4S)-4-acetyl-N-[2-(dimethylamino)ethyl]-N-methyloctanamide.
What is the SMILES notation for (4S)-4-acetyl-N-[2-(dimethylamino)ethyl]-N-methyloctanamide?
The canonical SMILES for (4S)-4-acetyl-N-[2-(dimethylamino)ethyl]-N-methyloctanamide is CCCCC(CCC(=O)N(C)CCN(C)C)C(C)=O.
What is the InChIKey of (4S)-4-acetyl-N-[2-(dimethylamino)ethyl]-N-methyloctanamide?
The InChIKey is RRXOQKHXAKIAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-7-8-14(13(2)18)9-10-15(19)17(5)12-11-16(3)4/h14H,6-12H2,1-5H3.
What are the key properties of (4S)-4-acetyl-N-[2-(dimethylamino)ethyl]-N-methyloctanamide?
(4S)-4-acetyl-N-[2-(dimethylamino)ethyl]-N-methyloctanamide has a molecular weight of 270.42 g/mol, XLogP of 2.18, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-acetyl-N-[2-(dimethylamino)ethyl]-N-methyloctanamide is sourced from PubChem (CID 158625774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).