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

C16H26N2O — CID 47074469

IUPACN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide
SMILESCCN(C)Cc1cccc(CNC(=O)CC(C)C)c1
InChIInChI=1S/C16H26N2O/c1-5-18(4)12-15-8-6-7-14(10-15)11-17-16(19)9-13(2)3/h6-8,10,13H,5,9,11-12H2,1-4H3,(H,17,19)
InChIKeyVIWNJZWRQMKIES-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.80
Rot. Bonds7

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

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide (PubChem CID 47074469) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide
PubChem CID47074469
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide
SMILESCCN(C)Cc1cccc(CNC(=O)CC(C)C)c1
InChIInChI=1S/C16H26N2O/c1-5-18(4)12-15-8-6-7-14(10-15)11-17-16(19)9-13(2)3/h6-8,10,13H,5,9,11-12H2,1-4H3,(H,17,19)
InChIKeyVIWNJZWRQMKIES-UHFFFAOYSA-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-ethylphenyl)methyl]-3-methylbutanamide
CID 70824104
(2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide
CID 95145860
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430735
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119862556
3-methyl-N-[[3-[(propylcarbamoylamino)methyl]phenyl]methyl]butanamide
CID 23879599
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide
CID 51096909
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 47076234
2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide
CID 94797406
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]isoquinoline-1-carboxamide
CID 52822157
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119862577
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide
CID 47827735
N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703880

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide?
The IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide (CID 47074469) is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide.
What is the SMILES notation for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide?
The canonical SMILES for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide is CCN(C)Cc1cccc(CNC(=O)CC(C)C)c1.
What is the InChIKey of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide?
The InChIKey is VIWNJZWRQMKIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-18(4)12-15-8-6-7-14(10-15)11-17-16(19)9-13(2)3/h6-8,10,13H,5,9,11-12H2,1-4H3,(H,17,19).
What are the key properties of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide?
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-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 N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 47074469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).