2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride

C20H27Cl2N3O2 — CID 119829861

IUPAC2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNc1ccccc1)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C20H25N3O2.2ClH/c24-20(14-21-18-9-5-2-6-10-18)22-13-19-16-23(11-12-25-19)15-17-7-3-1-4-8-17;;/h1-10,19,21H,11-16H2,(H,22,24);2*1H
InChIKeyVPGMBJCMVNAEBN-UHFFFAOYSA-N
MW412.36 g/mol
LogP2.96
Rot. Bonds7

About 2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride

2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride (PubChem CID 119829861) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is 2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
PubChem CID119829861
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC Name2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNc1ccccc1)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C20H25N3O2.2ClH/c24-20(14-21-18-9-5-2-6-10-18)22-13-19-16-23(11-12-25-19)15-17-7-3-1-4-8-17;;/h1-10,19,21H,11-16H2,(H,22,24);2*1H
InChIKeyVPGMBJCMVNAEBN-UHFFFAOYSA-N
XLogP2.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
N-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 24640639
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(methylcarbamoylamino)acetamide
CID 124623954
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide
CID 129479095
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829877
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]acetamide
CID 8006468
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride (CID 119829861) is 2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride is Cl.Cl.O=C(CNc1ccccc1)NCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride?
The InChIKey is VPGMBJCMVNAEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.2ClH/c24-20(14-21-18-9-5-2-6-10-18)22-13-19-16-23(11-12-25-19)15-17-7-3-1-4-8-17;;/h1-10,19,21H,11-16H2,(H,22,24);2*1H.
What are the key properties of 2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride?
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride has a molecular weight of 412.36 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119829861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).