(2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride

C13H28ClN3O3 — CID 120652434

IUPAC(2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)[C@@H](NC(=O)COC)C(C)C.Cl
InChIInChI=1S/C13H27N3O3.ClH/c1-6-14-10(4)7-15-13(18)12(9(2)3)16-11(17)8-19-5;/h9-10,12,14H,6-8H2,1-5H3,(H,15,18)(H,16,17);1H/t10-,12+;/m1./s1
InChIKeyQSLIDAJPDYLZBT-IYJPBCIQSA-N
MW309.84 g/mol
LogP0.31
Rot. Bonds9

About (2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride

(2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride (PubChem CID 120652434) has the molecular formula C13H28ClN3O3 and a molecular weight of 309.84 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride
PubChem CID120652434
Molecular FormulaC13H28ClN3O3
Molecular Weight309.84 g/mol
Exact Mass309.18
IUPAC Name(2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)[C@@H](NC(=O)COC)C(C)C.Cl
InChIInChI=1S/C13H27N3O3.ClH/c1-6-14-10(4)7-15-13(18)12(9(2)3)16-11(17)8-19-5;/h9-10,12,14H,6-8H2,1-5H3,(H,15,18)(H,16,17);1H/t10-,12+;/m1./s1
InChIKeyQSLIDAJPDYLZBT-IYJPBCIQSA-N
XLogP0.31
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-methoxy-2-methylpropanamide;hydrochloride
CID 120653578
(2S)-N-(2-amino-2-ethylbutyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide
CID 119641747
N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride
CID 120653472
(2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide
CID 120890091
(2S)-N-(2-amino-1-cyclopropylethyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride
CID 119615222
2-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)propanamide
CID 112684467
(2S)-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride
CID 119457328
2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride
CID 120651072
N-[(2R)-2-(ethylamino)propyl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 120653148
N-[(2R)-2-(ethylamino)propyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120654487
N-[(2R)-hexan-2-yl]-2-methoxyacetamide
CID 24773041
N-hexan-2-yl-2-methoxyacetamide
CID 64592486

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride?
The IUPAC name of (2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride (CID 120652434) is (2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride?
The canonical SMILES for (2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride is CCN[C@H](C)CNC(=O)[C@@H](NC(=O)COC)C(C)C.Cl.
What is the InChIKey of (2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride?
The InChIKey is QSLIDAJPDYLZBT-IYJPBCIQSA-N. The full InChI is InChI=1S/C13H27N3O3.ClH/c1-6-14-10(4)7-15-13(18)12(9(2)3)16-11(17)8-19-5;/h9-10,12,14H,6-8H2,1-5H3,(H,15,18)(H,16,17);1H/t10-,12+;/m1./s1.
What are the key properties of (2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride?
(2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 0.31, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 120652434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).