N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide

C12H25N3O2 — CID 106025675

IUPACN-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
SMILESCOCCCNC(=O)CNCC1CCCN1C
InChIInChI=1S/C12H25N3O2/c1-15-7-3-5-11(15)9-13-10-12(16)14-6-4-8-17-2/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyXHFWVUNIUFMODA-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.18
Rot. Bonds8

About N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide

N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide (PubChem CID 106025675) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
PubChem CID106025675
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
SMILESCOCCCNC(=O)CNCC1CCCN1C
InChIInChI=1S/C12H25N3O2/c1-15-7-3-5-11(15)9-13-10-12(16)14-6-4-8-17-2/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyXHFWVUNIUFMODA-UHFFFAOYSA-N
XLogP-0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 106025656
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 62014539
2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide
CID 54957148
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63849542
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
CID 43466021
2-(2-hydroxyethylamino)-N-(3-methoxypropyl)acetamide
CID 60647414
2-(3-aminopiperidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 61295530
2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
CID 122565628
N-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687120
2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide
CID 94822117

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide (CID 106025675) is N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide is COCCCNC(=O)CNCC1CCCN1C.
What is the InChIKey of N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide?
The InChIKey is XHFWVUNIUFMODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-15-7-3-5-11(15)9-13-10-12(16)14-6-4-8-17-2/h11,13H,3-10H2,1-2H3,(H,14,16).
What are the key properties of N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide?
N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide has a molecular weight of 243.35 g/mol, XLogP of -0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide is sourced from PubChem (CID 106025675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).