(2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide

C16H26N2O — CID 95145860

IUPAC(2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide
SMILESCC[C@H](C)C(=O)NCc1cccc(CN(C)CC)c1
InChIInChI=1S/C16H26N2O/c1-5-13(3)16(19)17-11-14-8-7-9-15(10-14)12-18(4)6-2/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyOWOJGFNOMYYRSV-ZDUSSCGKSA-N
MW262.40 g/mol
LogP2.80
Rot. Bonds7

About (2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide

(2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide (PubChem CID 95145860) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide
PubChem CID95145860
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide
SMILESCC[C@H](C)C(=O)NCc1cccc(CN(C)CC)c1
InChIInChI=1S/C16H26N2O/c1-5-13(3)16(19)17-11-14-8-7-9-15(10-14)12-18(4)6-2/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyOWOJGFNOMYYRSV-ZDUSSCGKSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119862556
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide
CID 47074469
1-butan-2-yl-3-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110943145
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430735
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
(2S)-2-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide;dihydrochloride
CID 119842529
6-ethoxy-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 86849292
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]isoquinoline-1-carboxamide
CID 52822157
(2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95273896
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide
CID 51096909
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide
CID 47827735

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide?
The IUPAC name of (2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide (CID 95145860) is (2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide.
What is the SMILES notation for (2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide?
The canonical SMILES for (2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide is CC[C@H](C)C(=O)NCc1cccc(CN(C)CC)c1.
What is the InChIKey of (2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide?
The InChIKey is OWOJGFNOMYYRSV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-13(3)16(19)17-11-14-8-7-9-15(10-14)12-18(4)6-2/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide?
(2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide is sourced from PubChem (CID 95145860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).