N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide

C15H23N3O — CID 81333096

IUPACN-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide
SMILESCC1CC(NCC(=O)NCc2ccccc2)CN1C
InChIInChI=1S/C15H23N3O/c1-12-8-14(11-18(12)2)16-10-15(19)17-9-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3,(H,17,19)
InChIKeyHAMYINRKPALYFW-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.99
Rot. Bonds5

About N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide

N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide (PubChem CID 81333096) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide
PubChem CID81333096
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide
SMILESCC1CC(NCC(=O)NCc2ccccc2)CN1C
InChIInChI=1S/C15H23N3O/c1-12-8-14(11-18(12)2)16-10-15(19)17-9-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3,(H,17,19)
InChIKeyHAMYINRKPALYFW-UHFFFAOYSA-N
XLogP0.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459
N-benzyl-2-[(4-hydroxycyclohexyl)amino]acetamide
CID 103601287
[4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol
CID 107230022
N-benzyl-2-[(2,6-dimethylcyclohexyl)amino]acetamide
CID 60972200
4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide
CID 60972447
N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide
CID 65073911
N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81338197
trans-(1S,2S)-N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 38639487
N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47030850
N-benzyl-2,6-dimethylpiperidine-1-carboxamide
CID 110755036
N-benzyl-2-[(5,5-dimethylthian-3-yl)amino]acetamide
CID 79959123
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide (CID 81333096) is N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide is CC1CC(NCC(=O)NCc2ccccc2)CN1C.
What is the InChIKey of N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide?
The InChIKey is HAMYINRKPALYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-8-14(11-18(12)2)16-10-15(19)17-9-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3,(H,17,19).
What are the key properties of N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide?
N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide has a molecular weight of 261.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 81333096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).