(2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide

C16H27N3O2 — CID 119848384

IUPAC(2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)[C@@H](C)N
InChIInChI=1S/C16H27N3O2/c1-4-19(5-2)10-11-21-15-9-7-6-8-14(15)12-18-16(20)13(3)17/h6-9,13H,4-5,10-12,17H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyNUHWDMRXUUTAFF-CYBMUJFWSA-N
MW293.41 g/mol
LogP1.37
Rot. Bonds9

About (2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide

(2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide (PubChem CID 119848384) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide
PubChem CID119848384
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)[C@@H](C)N
InChIInChI=1S/C16H27N3O2/c1-4-19(5-2)10-11-21-15-9-7-6-8-14(15)12-18-16(20)13(3)17/h6-9,13H,4-5,10-12,17H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyNUHWDMRXUUTAFF-CYBMUJFWSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 119946527
2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
CID 119848368
1-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111000561
2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide
CID 55959747
4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564949
2-chloro-N-[1-[[2-[2-(diethylamino)ethoxy]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55715360
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 46480012
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 60513558
2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669936
2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 60513634

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide (CID 119848384) is (2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide is CCN(CC)CCOc1ccccc1CNC(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide?
The InChIKey is NUHWDMRXUUTAFF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-19(5-2)10-11-21-15-9-7-6-8-14(15)12-18-16(20)13(3)17/h6-9,13H,4-5,10-12,17H2,1-3H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide?
(2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide has a molecular weight of 293.41 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide is sourced from PubChem (CID 119848384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).