(2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide

C18H29N3O2 — CID 25353106

IUPAC(2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide
SMILESCCN(CCNC(=O)[C@H](NC(C)=O)C(C)C)c1cccc(C)c1
InChIInChI=1S/C18H29N3O2/c1-6-21(16-9-7-8-14(4)12-16)11-10-19-18(23)17(13(2)3)20-15(5)22/h7-9,12-13,17H,6,10-11H2,1-5H3,(H,19,23)(H,20,22)/t17-/m1/s1
InChIKeyGQORKZZOBYQWQI-QGZVFWFLSA-N
MW319.45 g/mol
LogP2.10
Rot. Bonds8

About (2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide

(2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide (PubChem CID 25353106) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide
PubChem CID25353106
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide
SMILESCCN(CCNC(=O)[C@H](NC(C)=O)C(C)C)c1cccc(C)c1
InChIInChI=1S/C18H29N3O2/c1-6-21(16-9-7-8-14(4)12-16)11-10-19-18(23)17(13(2)3)20-15(5)22/h7-9,12-13,17H,6,10-11H2,1-5H3,(H,19,23)(H,20,22)/t17-/m1/s1
InChIKeyGQORKZZOBYQWQI-QGZVFWFLSA-N
XLogP2.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-[2-(N-ethyl-3-methylanilino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55936357
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119831783
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 133108304
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide
CID 143046276
1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3741166
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
N-[2-[[ethylamino-[2-(N-ethyl-3-methylanilino)ethylamino]methylidene]amino]ethyl]acetamide
CID 111330894
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077133
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide (CID 25353106) is (2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide is CCN(CCNC(=O)[C@H](NC(C)=O)C(C)C)c1cccc(C)c1.
What is the InChIKey of (2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide?
The InChIKey is GQORKZZOBYQWQI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-6-21(16-9-7-8-14(4)12-16)11-10-19-18(23)17(13(2)3)20-15(5)22/h7-9,12-13,17H,6,10-11H2,1-5H3,(H,19,23)(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide?
(2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide has a molecular weight of 319.45 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 25353106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).