N-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide

C19H30N2O — CID 71048572

IUPACN-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide
SMILESCCC(CC1CCCN1Cc1ccccc1)NC(=O)C(C)C
InChIInChI=1S/C19H30N2O/c1-4-17(20-19(22)15(2)3)13-18-11-8-12-21(18)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3,(H,20,22)
InChIKeyJKTSTGGZSMCHHN-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.59
Rot. Bonds7

About N-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide

N-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide (PubChem CID 71048572) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide
PubChem CID71048572
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide
SMILESCCC(CC1CCCN1Cc1ccccc1)NC(=O)C(C)C
InChIInChI=1S/C19H30N2O/c1-4-17(20-19(22)15(2)3)13-18-11-8-12-21(18)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3,(H,20,22)
InChIKeyJKTSTGGZSMCHHN-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide;dihydrochloride
CID 119888694
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol
CID 83982303
1-(1-benzylpiperidin-2-yl)-N-methylpropan-2-amine
CID 83982317
2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
CID 122375252
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]benzoic acid
CID 114337900
3-[[2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122028646
3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
(2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide
CID 66565271
N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide
CID 167190709
(2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide
CID 96504371

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide (CID 71048572) is N-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide is CCC(CC1CCCN1Cc1ccccc1)NC(=O)C(C)C.
What is the InChIKey of N-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide?
The InChIKey is JKTSTGGZSMCHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-17(20-19(22)15(2)3)13-18-11-8-12-21(18)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide?
N-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide has a molecular weight of 302.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 71048572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).