(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide

C15H25N3O — CID 103813347

IUPAC(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C15H25N3O/c1-4-7-14(16)15(19)17-10-12-8-5-6-9-13(12)11-18(2)3/h5-6,8-9,14H,4,7,10-11,16H2,1-3H3,(H,17,19)/t14-/m1/s1
InChIKeyYFOSYONMCOFWLR-CQSZACIVSA-N
MW263.38 g/mol
LogP1.49
Rot. Bonds7

About (2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide

(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide (PubChem CID 103813347) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide
PubChem CID103813347
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C15H25N3O/c1-4-7-14(16)15(19)17-10-12-8-5-6-9-13(12)11-18(2)3/h5-6,8-9,14H,4,7,10-11,16H2,1-3H3,(H,17,19)/t14-/m1/s1
InChIKeyYFOSYONMCOFWLR-CQSZACIVSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119835445
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide
CID 60607222
2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide
CID 43695727
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
CID 55104517
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
CID 93359004
2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
2-amino-N-benzylpentanamide
CID 11020044
2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
CID 65229042
ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
CID 60668726
2-amino-N-[(2-cyclobutyloxyphenyl)methyl]pentanamide
CID 119330646
(2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide
CID 103795712

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide (CID 103813347) is (2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide is CCC[C@@H](N)C(=O)NCc1ccccc1CN(C)C.
What is the InChIKey of (2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide?
The InChIKey is YFOSYONMCOFWLR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-7-14(16)15(19)17-10-12-8-5-6-9-13(12)11-18(2)3/h5-6,8-9,14H,4,7,10-11,16H2,1-3H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide?
(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide has a molecular weight of 263.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide is sourced from PubChem (CID 103813347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).