N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide

C12H25N3O2 — CID 112698333

IUPACN-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide
SMILESCOCCNC(=O)CNC1CCN(C(C)C)C1
InChIInChI=1S/C12H25N3O2/c1-10(2)15-6-4-11(9-15)14-8-12(16)13-5-7-17-3/h10-11,14H,4-9H2,1-3H3,(H,13,16)
InChIKeyAJEKKSNONVAXIR-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.18
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide

N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide (PubChem CID 112698333) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide
PubChem CID112698333
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide
SMILESCOCCNC(=O)CNC1CCN(C(C)C)C1
InChIInChI=1S/C12H25N3O2/c1-10(2)15-6-4-11(9-15)14-8-12(16)13-5-7-17-3/h10-11,14H,4-9H2,1-3H3,(H,13,16)
InChIKeyAJEKKSNONVAXIR-UHFFFAOYSA-N
XLogP-0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)amino]acetamide
CID 113242883
N-(2-methoxyethyl)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
CID 65471257
tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate
CID 81462946
3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid
CID 94057936
2-[(3-methoxycyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 104872016
2-(cyclopentylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 61209304
N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide
CID 65074642
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115707984
2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 126988298
N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 64605853
N-(2-methoxyethyl)-2-(oxan-3-ylamino)acetamide
CID 63363651
1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 95762985

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide (CID 112698333) is N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide is COCCNC(=O)CNC1CCN(C(C)C)C1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide?
The InChIKey is AJEKKSNONVAXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(2)15-6-4-11(9-15)14-8-12(16)13-5-7-17-3/h10-11,14H,4-9H2,1-3H3,(H,13,16).
What are the key properties of N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide?
N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide has a molecular weight of 243.35 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 112698333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).