2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide

C15H31N3O2 — CID 106616707

IUPAC2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCCCCN(CC1CCCN1)C(C)C(=O)NCCOC
InChIInChI=1S/C15H31N3O2/c1-4-5-10-18(12-14-7-6-8-16-14)13(2)15(19)17-9-11-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyUNLKDVXKWDNFFR-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.99
Rot. Bonds10

About 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide

2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 106616707) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID106616707
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCCCCN(CC1CCCN1)C(C)C(=O)NCCOC
InChIInChI=1S/C15H31N3O2/c1-4-5-10-18(12-14-7-6-8-16-14)13(2)15(19)17-9-11-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyUNLKDVXKWDNFFR-UHFFFAOYSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.99
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

2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide
CID 106615376
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617509
N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614794
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide
CID 106631734
N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617964
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide
CID 106618297
ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate
CID 106617720
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972
N-carbamoyl-2-[piperidin-2-ylmethyl(propyl)amino]propanamide
CID 106635848
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106615213
N-cyclopentyl-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617913

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide (CID 106616707) is 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide is CCCCN(CC1CCCN1)C(C)C(=O)NCCOC.
What is the InChIKey of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is UNLKDVXKWDNFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-5-10-18(12-14-7-6-8-16-14)13(2)15(19)17-9-11-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19).
What are the key properties of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide?
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 285.43 g/mol, XLogP of 0.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 106616707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).