3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride

C17H29Cl2N3O3 — CID 119865260

IUPAC3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCc1ccccc1OCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C17H27N3O3.2ClH/c1-14(18)12-17(21)19-13-15-4-2-3-5-16(15)23-11-8-20-6-9-22-10-7-20;;/h2-5,14H,6-13,18H2,1H3,(H,19,21);2*1H
InChIKeyPGQXWHCOUNVBTI-UHFFFAOYSA-N
MW394.34 g/mol
LogP1.59
Rot. Bonds8

About 3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride

3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride (PubChem CID 119865260) has the molecular formula C17H29Cl2N3O3 and a molecular weight of 394.34 g/mol. Its IUPAC name is 3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
PubChem CID119865260
Molecular FormulaC17H29Cl2N3O3
Molecular Weight394.34 g/mol
Exact Mass393.16
IUPAC Name3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCc1ccccc1OCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C17H27N3O3.2ClH/c1-14(18)12-17(21)19-13-15-4-2-3-5-16(15)23-11-8-20-6-9-22-10-7-20;;/h2-5,14H,6-13,18H2,1H3,(H,19,21);2*1H
InChIKeyPGQXWHCOUNVBTI-UHFFFAOYSA-N
XLogP1.59
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide
CID 119865271
2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride
CID 119865216
2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride
CID 119946846
3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
CID 119705310
1-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119865229
2-indol-1-yl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide
CID 86859991
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119865223
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111217393
(2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 120940171
(2S,5R)-5-(aminomethyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 120799128
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride (CID 119865260) is 3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride is CC(N)CC(=O)NCc1ccccc1OCCN1CCOCC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride?
The InChIKey is PGQXWHCOUNVBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3.2ClH/c1-14(18)12-17(21)19-13-15-4-2-3-5-16(15)23-11-8-20-6-9-22-10-7-20;;/h2-5,14H,6-13,18H2,1H3,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride?
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride has a molecular weight of 394.34 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119865260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).