N-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide

C17H35N3O — CID 106614832

IUPACN-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCCCCCC(C)NC(=O)CN(CC1CCCN1)C(C)C
InChIInChI=1S/C17H35N3O/c1-5-6-7-9-15(4)19-17(21)13-20(14(2)3)12-16-10-8-11-18-16/h14-16,18H,5-13H2,1-4H3,(H,19,21)
InChIKeyWXLAIXMCZFORJC-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.53
Rot. Bonds10

About N-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide

N-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide (PubChem CID 106614832) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
PubChem CID106614832
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCCCCCC(C)NC(=O)CN(CC1CCCN1)C(C)C
InChIInChI=1S/C17H35N3O/c1-5-6-7-9-15(4)19-17(21)13-20(14(2)3)12-16-10-8-11-18-16/h14-16,18H,5-13H2,1-4H3,(H,19,21)
InChIKeyWXLAIXMCZFORJC-UHFFFAOYSA-N
XLogP2.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]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-(ethylcarbamoyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614699
2-[piperidin-2-ylmethyl(propan-2-yl)amino]-N-propylacetamide
CID 106632199
2-[propan-2-yl-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819407
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-2-amine
CID 106603679
N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614096
N-cyclohexyl-2-[piperidin-2-ylmethyl(propan-2-yl)amino]acetamide
CID 106631855
N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine
CID 106603643
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106615213
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide
CID 106615376
2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607007
N-hexan-2-yl-3-piperidin-2-ylpropanamide
CID 62211669
N-(4-fluorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614350

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide (CID 106614832) is N-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide is CCCCCC(C)NC(=O)CN(CC1CCCN1)C(C)C.
What is the InChIKey of N-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide?
The InChIKey is WXLAIXMCZFORJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-6-7-9-15(4)19-17(21)13-20(14(2)3)12-16-10-8-11-18-16/h14-16,18H,5-13H2,1-4H3,(H,19,21).
What are the key properties of N-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide?
N-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide has a molecular weight of 297.49 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106614832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).