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

C17H27N3O — CID 79814004

IUPAC2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
SMILESCCC(N)(CC)C(=O)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C17H27N3O/c1-3-17(18,4-2)16(21)19-15-10-6-5-9-14(15)13-20-11-7-8-12-20/h5-6,9-10H,3-4,7-8,11-13,18H2,1-2H3,(H,19,21)
InChIKeyGBUAQBKQZUQBBV-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.74
Rot. Bonds6

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

2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide (PubChem CID 79814004) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
PubChem CID79814004
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
SMILESCCC(N)(CC)C(=O)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C17H27N3O/c1-3-17(18,4-2)16(21)19-15-10-6-5-9-14(15)13-20-11-7-8-12-20/h5-6,9-10H,3-4,7-8,11-13,18H2,1-2H3,(H,19,21)
InChIKeyGBUAQBKQZUQBBV-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-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79813584
(2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 104902926
4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131911207
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
2-amino-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]acetamide
CID 60850877
1-(aminomethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 115452618
dimethyl (E)-2-[2-(pyrrolidin-1-ylmethyl)anilino]but-2-enedioate
CID 168566366
4-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 55204824
2-cyclopentyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 71896430
(4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 95292279
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 43701552
(2S,4S)-4-amino-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 131943076

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide (CID 79814004) is 2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide is CCC(N)(CC)C(=O)Nc1ccccc1CN1CCCC1.
What is the InChIKey of 2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide?
The InChIKey is GBUAQBKQZUQBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-17(18,4-2)16(21)19-15-10-6-5-9-14(15)13-20-11-7-8-12-20/h5-6,9-10H,3-4,7-8,11-13,18H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide?
2-amino-2-ethyl-N-[2-(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-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 79814004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).