(2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide

C8H16N2O3 — CID 147154567

IUPAC(2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide
SMILESCNC(=O)[C@H](CNC(C)=O)COC
InChIInChI=1S/C8H16N2O3/c1-6(11)10-4-7(5-13-3)8(12)9-2/h7H,4-5H2,1-3H3,(H,9,12)(H,10,11)/t7-/m1/s1
InChIKeyBUQHFJCFTZBLEP-SSDOTTSWSA-N
MW188.23 g/mol
LogP-0.87
Rot. Bonds5

About (2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide

(2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide (PubChem CID 147154567) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide
PubChem CID147154567
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide
SMILESCNC(=O)[C@H](CNC(C)=O)COC
InChIInChI=1S/C8H16N2O3/c1-6(11)10-4-7(5-13-3)8(12)9-2/h7H,4-5H2,1-3H3,(H,9,12)(H,10,11)/t7-/m1/s1
InChIKeyBUQHFJCFTZBLEP-SSDOTTSWSA-N
XLogP-0.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide
CID 101104048
2,3-dimethoxy-N-methylpropanamide
CID 55288106
N-(2-methoxypropyl)acetamide
CID 90876780
3-(aminomethyl)-4-methoxybutan-2-one
CID 59279706
1,3-dimethoxypropane;ethane;N-(2-methylpropyl)acetamide;molecular hydrogen
CID 169251341
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
N-ethyl-2-(methoxymethyl)pentanamide
CID 140571323
methyl N-(3-acetamido-2-hydroxypropyl)carbamate
CID 23527594
(2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid
CID 175370345
2-amino-3-methoxy-N-(3-methoxy-2-methylpropyl)propanamide
CID 81089502
ethane;N-(2-methylpropyl)acetamide
CID 142232237
N-[2-(1-methoxyethoxy)propyl]acetamide
CID 143226196

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide?
The IUPAC name of (2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide (CID 147154567) is (2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide.
What is the SMILES notation for (2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide?
The canonical SMILES for (2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide is CNC(=O)[C@H](CNC(C)=O)COC.
What is the InChIKey of (2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide?
The InChIKey is BUQHFJCFTZBLEP-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(11)10-4-7(5-13-3)8(12)9-2/h7H,4-5H2,1-3H3,(H,9,12)(H,10,11)/t7-/m1/s1.
What are the key properties of (2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide?
(2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide has a molecular weight of 188.23 g/mol, XLogP of -0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide is sourced from PubChem (CID 147154567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).