N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide

C11H21N3O2 — CID 79271047

IUPACN-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCN(C)CCOC
InChIInChI=1S/C11H21N3O2/c1-4-5-12-10-11(15)13-6-7-14(2)8-9-16-3/h1,12H,5-10H2,2-3H3,(H,13,15)
InChIKeySOGWGEWOJLFTNT-UHFFFAOYSA-N
MW227.31 g/mol
LogP-1.10
Rot. Bonds9

About N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 79271047) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide
PubChem CID79271047
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCN(C)CCOC
InChIInChI=1S/C11H21N3O2/c1-4-5-12-10-11(15)13-6-7-14(2)8-9-16-3/h1,12H,5-10H2,2-3H3,(H,13,15)
InChIKeySOGWGEWOJLFTNT-UHFFFAOYSA-N
XLogP-1.10
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide
CID 113463825
4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 129046478
N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide
CID 79287786
2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569874
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 79286861
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
N-(2-ethoxyethyl)-2-(prop-2-ynylamino)acetamide
CID 79286728
N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-1-carboxamide
CID 115605829
2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethoxy]acetic acid
CID 62842947
N-(2-methoxyethoxy)-2-(prop-2-ynylamino)acetamide
CID 82723059
N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide
CID 112722327
2-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]propanamide
CID 115605846

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide (CID 79271047) is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCCN(C)CCOC.
What is the InChIKey of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is SOGWGEWOJLFTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-5-12-10-11(15)13-6-7-14(2)8-9-16-3/h1,12H,5-10H2,2-3H3,(H,13,15).
What are the key properties of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide?
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 227.31 g/mol, XLogP of -1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79271047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).