(2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide

C17H27N3O — CID 104902926

IUPAC(2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C17H27N3O/c1-13(2)11-15(18)17(21)19-16-8-4-3-7-14(16)12-20-9-5-6-10-20/h3-4,7-8,13,15H,5-6,9-12,18H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyKBAIHPDJYYYNHJ-OAHLLOKOSA-N
MW289.42 g/mol
LogP2.59
Rot. Bonds6

About (2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide

(2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide (PubChem CID 104902926) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
PubChem CID104902926
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C17H27N3O/c1-13(2)11-15(18)17(21)19-16-8-4-3-7-14(16)12-20-9-5-6-10-20/h3-4,7-8,13,15H,5-6,9-12,18H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyKBAIHPDJYYYNHJ-OAHLLOKOSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119859628
2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 43705539
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79814004
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
(2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide
CID 24862332
(2S)-2-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-4-methylpentanamide
CID 119870437
(2S)-2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-4-methylpentanamide
CID 119867379
(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
CID 104902583

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide (CID 104902926) is (2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide is CC(C)C[C@@H](N)C(=O)Nc1ccccc1CN1CCCC1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide?
The InChIKey is KBAIHPDJYYYNHJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)11-15(18)17(21)19-16-8-4-3-7-14(16)12-20-9-5-6-10-20/h3-4,7-8,13,15H,5-6,9-12,18H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide?
(2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide has a molecular weight of 289.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide is sourced from PubChem (CID 104902926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).