2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride

C19H31Cl2N3O3 — CID 120798857

IUPAC2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)Nc1ccc(CCN2CCOCC2)cc1)C1CCOCC1
InChIInChI=1S/C19H29N3O3.2ClH/c20-18(16-6-11-24-12-7-16)19(23)21-17-3-1-15(2-4-17)5-8-22-9-13-25-14-10-22;;/h1-4,16,18H,5-14,20H2,(H,21,23);2*1H
InChIKeyOURBCNDJRATZPT-UHFFFAOYSA-N
MW420.38 g/mol
LogP2.10
Rot. Bonds6

About 2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120798857) has the molecular formula C19H31Cl2N3O3 and a molecular weight of 420.38 g/mol. Its IUPAC name is 2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120798857
Molecular FormulaC19H31Cl2N3O3
Molecular Weight420.38 g/mol
Exact Mass419.17
IUPAC Name2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)Nc1ccc(CCN2CCOCC2)cc1)C1CCOCC1
InChIInChI=1S/C19H29N3O3.2ClH/c20-18(16-6-11-24-12-7-16)19(23)21-17-3-1-15(2-4-17)5-8-22-9-13-25-14-10-22;;/h1-4,16,18H,5-14,20H2,(H,21,23);2*1H
InChIKeyOURBCNDJRATZPT-UHFFFAOYSA-N
XLogP2.10
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 120798942
2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide
CID 120784146
2-(cyclopropylmethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride
CID 119860951
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716
4-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]butanamide
CID 119860982
2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide
CID 120794532
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801639
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea
CID 154747609
2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120800496

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120798857) is 2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride is Cl.Cl.NC(C(=O)Nc1ccc(CCN2CCOCC2)cc1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is OURBCNDJRATZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.2ClH/c20-18(16-6-11-24-12-7-16)19(23)21-17-3-1-15(2-4-17)5-8-22-9-13-25-14-10-22;;/h1-4,16,18H,5-14,20H2,(H,21,23);2*1H.
What are the key properties of 2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 420.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120798857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).