(2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide

C18H29N3O2 — CID 69222569

IUPAC(2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide
SMILESCCN(C(=O)[C@H](CC(C)C)NN1CCOCC1)c1ccccc1
InChIInChI=1S/C18H29N3O2/c1-4-21(16-8-6-5-7-9-16)18(22)17(14-15(2)3)19-20-10-12-23-13-11-20/h5-9,15,17,19H,4,10-14H2,1-3H3/t17-/m0/s1
InChIKeyNOXZJDMUWSDJQC-KRWDZBQOSA-N
MW319.45 g/mol
LogP2.29
Rot. Bonds7

About (2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide

(2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide (PubChem CID 69222569) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide
PubChem CID69222569
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide
SMILESCCN(C(=O)[C@H](CC(C)C)NN1CCOCC1)c1ccccc1
InChIInChI=1S/C18H29N3O2/c1-4-21(16-8-6-5-7-9-16)18(22)17(14-15(2)3)19-20-10-12-23-13-11-20/h5-9,15,17,19H,4,10-14H2,1-3H3/t17-/m0/s1
InChIKeyNOXZJDMUWSDJQC-KRWDZBQOSA-N
XLogP2.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide
CID 86904519
(2S)-N-ethyl-2-(4-hydroxypiperidin-1-yl)-N-phenylpropanamide
CID 94333132
N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 110881386
N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide
CID 108944050
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide
CID 79196237
5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid
CID 11492533
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride
CID 119670324
1-[1-(N-ethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906953
N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide
CID 111489569
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
(2S)-N-ethyl-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 8595023
N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide?
The IUPAC name of (2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide (CID 69222569) is (2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide.
What is the SMILES notation for (2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide?
The canonical SMILES for (2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide is CCN(C(=O)[C@H](CC(C)C)NN1CCOCC1)c1ccccc1.
What is the InChIKey of (2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide?
The InChIKey is NOXZJDMUWSDJQC-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-21(16-8-6-5-7-9-16)18(22)17(14-15(2)3)19-20-10-12-23-13-11-20/h5-9,15,17,19H,4,10-14H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide?
(2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide has a molecular weight of 319.45 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide is sourced from PubChem (CID 69222569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).