2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide

C17H27N3O — CID 79813584

IUPAC2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-17(18,4-2)16(21)19-15-9-7-14(8-10-15)13-20-11-5-6-12-20/h7-10H,3-6,11-13,18H2,1-2H3,(H,19,21)
InChIKeyCVOSDTHYMDTDEC-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.74
Rot. Bonds6

About 2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide

2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide (PubChem CID 79813584) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
PubChem CID79813584
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-17(18,4-2)16(21)19-15-9-7-14(8-10-15)13-20-11-5-6-12-20/h7-10H,3-6,11-13,18H2,1-2H3,(H,19,21)
InChIKeyCVOSDTHYMDTDEC-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 114327805
2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62836738
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79814004
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
2,2-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]propanamide
CID 925579
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 81082842
2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743657
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 79810229

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide (CID 79813584) is 2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide is CCC(N)(CC)C(=O)Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide?
The InChIKey is CVOSDTHYMDTDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-17(18,4-2)16(21)19-15-9-7-14(8-10-15)13-20-11-5-6-12-20/h7-10H,3-6,11-13,18H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide?
2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide has a molecular weight of 289.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 79813584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).