N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide

C16H33N3O — CID 106617035

IUPACN-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)N(CC(C)C)CC1CCCN1
InChIInChI=1S/C16H33N3O/c1-6-13(4)18-16(20)14(5)19(10-12(2)3)11-15-8-7-9-17-15/h12-15,17H,6-11H2,1-5H3,(H,18,20)
InChIKeyVZGLYHFIWJHREW-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.00
Rot. Bonds8

About N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide

N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide (PubChem CID 106617035) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide
PubChem CID106617035
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)N(CC(C)C)CC1CCCN1
InChIInChI=1S/C16H33N3O/c1-6-13(4)18-16(20)14(5)19(10-12(2)3)11-15-8-7-9-17-15/h12-15,17H,6-11H2,1-5H3,(H,18,20)
InChIKeyVZGLYHFIWJHREW-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106615213
N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine
CID 104870302
N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614096
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 106605357
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide
CID 106615376
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine
CID 114079715
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide
CID 106618297
N-(1-methoxypropan-2-yl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605152
N-cyclopentyl-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617913
N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617964
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 106615136

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide (CID 106617035) is N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide is CCC(C)NC(=O)C(C)N(CC(C)C)CC1CCCN1.
What is the InChIKey of N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide?
The InChIKey is VZGLYHFIWJHREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-13(4)18-16(20)14(5)19(10-12(2)3)11-15-8-7-9-17-15/h12-15,17H,6-11H2,1-5H3,(H,18,20).
What are the key properties of N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide?
N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide has a molecular weight of 283.46 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 106617035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).