N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide

C18H28N2O2 — CID 102306960

IUPACN-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide
SMILESCCN(CC)C(=O)[C@H](CC(C)C)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H28N2O2/c1-6-20(7-2)18(22)16(12-13(3)4)19-17(21)15-10-8-14(5)9-11-15/h8-11,13,16H,6-7,12H2,1-5H3,(H,19,21)/t16-/m0/s1
InChIKeyZSDSYUFDWMFHKX-INIZCTEOSA-N
MW304.43 g/mol
LogP3.01
Rot. Bonds7

About N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide

N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide (PubChem CID 102306960) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide
PubChem CID102306960
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide
SMILESCCN(CC)C(=O)[C@H](CC(C)C)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H28N2O2/c1-6-20(7-2)18(22)16(12-13(3)4)19-17(21)15-10-8-14(5)9-11-15/h8-11,13,16H,6-7,12H2,1-5H3,(H,19,21)/t16-/m0/s1
InChIKeyZSDSYUFDWMFHKX-INIZCTEOSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 836976
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351340
pentadecyl 4-methyl-2-[(4-methylbenzoyl)amino]pentanoate
CID 91710762
4-(aminomethyl)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43699907
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
4-chloro-N-[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]benzamide
CID 51064823
(2S)-4-methyl-2-[(4-propanoylbenzoyl)amino]pentanoic acid
CID 119361961
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
CID 43699933
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
(2S)-2-[[4-(4-hydroxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 91416190

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide?
The IUPAC name of N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide (CID 102306960) is N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide is CCN(CC)C(=O)[C@H](CC(C)C)NC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide?
The InChIKey is ZSDSYUFDWMFHKX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-6-20(7-2)18(22)16(12-13(3)4)19-17(21)15-10-8-14(5)9-11-15/h8-11,13,16H,6-7,12H2,1-5H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide?
N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide has a molecular weight of 304.43 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 102306960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).