2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride

C11H24ClN3O3 — CID 119695004

IUPAC2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(=O)NCCOC.Cl
InChIInChI=1S/C11H23N3O3.ClH/c1-4-8(2)10(12)11(16)14-7-9(15)13-5-6-17-3;/h8,10H,4-7,12H2,1-3H3,(H,13,15)(H,14,16);1H
InChIKeyMJWSPUCQIMYNLP-UHFFFAOYSA-N
MW281.78 g/mol
LogP-0.34
Rot. Bonds8

About 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride

2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride (PubChem CID 119695004) has the molecular formula C11H24ClN3O3 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride
PubChem CID119695004
Molecular FormulaC11H24ClN3O3
Molecular Weight281.78 g/mol
Exact Mass281.15
IUPAC Name2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(=O)NCCOC.Cl
InChIInChI=1S/C11H23N3O3.ClH/c1-4-8(2)10(12)11(16)14-7-9(15)13-5-6-17-3;/h8,10H,4-7,12H2,1-3H3,(H,13,15)(H,14,16);1H
InChIKeyMJWSPUCQIMYNLP-UHFFFAOYSA-N
XLogP-0.34
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 103794285
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119695009
(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61173876
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 115738068
2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide
CID 112700885
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide
CID 43515212
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
(2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 103832967
(2S)-2-amino-3-methyl-N-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethyl]butanamide
CID 82961460
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]acetyl]amino]-3-methylbutanoic acid
CID 18294365

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride (CID 119695004) is 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCC(=O)NCCOC.Cl.
What is the InChIKey of 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride?
The InChIKey is MJWSPUCQIMYNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3.ClH/c1-4-8(2)10(12)11(16)14-7-9(15)13-5-6-17-3;/h8,10H,4-7,12H2,1-3H3,(H,13,15)(H,14,16);1H.
What are the key properties of 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of -0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119695004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).