(2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide

C15H23N3O3 — CID 82963336

IUPAC(2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide
SMILESCOCc1ccccc1NC(=O)CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C15H23N3O3/c1-10(2)14(16)15(20)17-8-13(19)18-12-7-5-4-6-11(12)9-21-3/h4-7,10,14H,8-9,16H2,1-3H3,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyOKEYTEJGIFOBGD-AWEZNQCLSA-N
MW293.37 g/mol
LogP0.87
Rot. Bonds7

About (2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 82963336) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide
PubChem CID82963336
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide
SMILESCOCc1ccccc1NC(=O)CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C15H23N3O3/c1-10(2)14(16)15(20)17-8-13(19)18-12-7-5-4-6-11(12)9-21-3/h4-7,10,14H,8-9,16H2,1-3H3,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyOKEYTEJGIFOBGD-AWEZNQCLSA-N
XLogP0.87
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
CID 43700969
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747
(2S)-2-amino-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 81424178
(2S)-2-amino-N-[2-(2-hydroxy-4-methoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 102695315
(2S)-2-amino-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 119271120
4-amino-N-[2-(methoxymethyl)phenyl]butanamide
CID 43701002
(2S)-2-amino-N-[2-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82963468
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806
(2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 82963467
(2S)-2-amino-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 104897233
N-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide
CID 86989240
(2S)-2-amino-3-methyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 82962341

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide (CID 82963336) is (2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide is COCc1ccccc1NC(=O)CNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is OKEYTEJGIFOBGD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)14(16)15(20)17-8-13(19)18-12-7-5-4-6-11(12)9-21-3/h4-7,10,14H,8-9,16H2,1-3H3,(H,17,20)(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 293.37 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82963336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).