2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide

C16H27N3O — CID 79814762

IUPAC2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C16H27N3O/c1-5-16(17,6-2)15(20)18-11-13-9-7-8-10-14(13)12-19(3)4/h7-10H,5-6,11-12,17H2,1-4H3,(H,18,20)
InChIKeyWPHXXOUTGSVCOH-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.88
Rot. Bonds7

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

2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide (PubChem CID 79814762) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide
PubChem CID79814762
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C16H27N3O/c1-5-16(17,6-2)15(20)18-11-13-9-7-8-10-14(13)12-19(3)4/h7-10H,5-6,11-12,17H2,1-4H3,(H,18,20)
InChIKeyWPHXXOUTGSVCOH-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119835483
ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
CID 60668726
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 61258455
N-[2-[[2-[(dimethylamino)methyl]phenyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31563060
(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 103813347
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
CID 55104517
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119835445
2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
CID 65229042
4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 61260959
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea
CID 122565152
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide
CID 60607222
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892419

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide?
The IUPAC name of 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide (CID 79814762) is 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide is CCC(N)(CC)C(=O)NCc1ccccc1CN(C)C.
What is the InChIKey of 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide?
The InChIKey is WPHXXOUTGSVCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-16(17,6-2)15(20)18-11-13-9-7-8-10-14(13)12-19(3)4/h7-10H,5-6,11-12,17H2,1-4H3,(H,18,20).
What are the key properties of 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide?
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide has a molecular weight of 277.41 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide is sourced from PubChem (CID 79814762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).