N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide

C13H27N3O2 — CID 60697071

IUPACN-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
SMILESCOCC(C)NC(=O)CNCCCN1CCCC1
InChIInChI=1S/C13H27N3O2/c1-12(11-18-2)15-13(17)10-14-6-5-9-16-7-3-4-8-16/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyMOSNQJMUJZYFAA-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.21
Rot. Bonds9

About N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide

N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide (PubChem CID 60697071) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
PubChem CID60697071
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
SMILESCOCC(C)NC(=O)CNCCCN1CCCC1
InChIInChI=1S/C13H27N3O2/c1-12(11-18-2)15-13(17)10-14-6-5-9-16-7-3-4-8-16/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyMOSNQJMUJZYFAA-UHFFFAOYSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid
CID 43473540
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 61488098
3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
CID 116500788
4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 113411499
2-(2,2-difluoroethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115406791
2-(4-methoxybutylamino)-N-pentan-2-ylacetamide
CID 60976896
N-[2-(azocan-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62573966
4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62568410
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 60852471

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide (CID 60697071) is N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide is COCC(C)NC(=O)CNCCCN1CCCC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide?
The InChIKey is MOSNQJMUJZYFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-12(11-18-2)15-13(17)10-14-6-5-9-16-7-3-4-8-16/h12,14H,3-11H2,1-2H3,(H,15,17).
What are the key properties of N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide?
N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide is sourced from PubChem (CID 60697071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).