4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide

C28H32ClN3O3 — CID 14881958

IUPAC4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide
SMILESNc1cc(OCCCc2ccccc2)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl
InChIInChI=1S/C28H32ClN3O3/c29-25-16-24(27(17-26(25)30)35-14-7-12-21-8-3-1-4-9-21)28(33)31-18-23-20-32(13-15-34-23)19-22-10-5-2-6-11-22/h1-6,8-11,16-17,23H,7,12-15,18-20,30H2,(H,31,33)
InChIKeyIYYGEGUIAYLWLL-UHFFFAOYSA-N
MW494.04 g/mol
LogP4.56
Rot. Bonds10

About 4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide

4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide (PubChem CID 14881958) has the molecular formula C28H32ClN3O3 and a molecular weight of 494.04 g/mol. Its IUPAC name is 4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide.

Molecular Properties

Compound Name4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide
PubChem CID14881958
Molecular FormulaC28H32ClN3O3
Molecular Weight494.04 g/mol
Exact Mass493.21
IUPAC Name4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide
SMILESNc1cc(OCCCc2ccccc2)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl
InChIInChI=1S/C28H32ClN3O3/c29-25-16-24(27(17-26(25)30)35-14-7-12-21-8-3-1-4-9-21)28(33)31-18-23-20-32(13-15-34-23)19-22-10-5-2-6-11-22/h1-6,8-11,16-17,23H,7,12-15,18-20,30H2,(H,31,33)
InChIKeyIYYGEGUIAYLWLL-UHFFFAOYSA-N
XLogP4.56
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.04
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide
CID 14881951
4-amino-5-chloro-2-methoxy-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 14877438
4-amino-5-chloro-N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide;hydrate;hydrochloride
CID 21156202
4-amino-5-chloro-2-methoxy-N-[[4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide
CID 3087008
4-amino-5-chloro-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-(3-methylbut-2-enoxy)benzamide
CID 14881964
4-amino-5-chloro-N-[[4-[(2-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 3087006
4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide
CID 14877428
4-amino-5-chloro-N-[[4-[(4-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;(E)-but-2-enedioic acid
CID 6450587
N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide
CID 14881990
4-amino-5-chloro-N-[[4-[dideuterio-(2,3,5,6-tetradeuterio-4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide
CID 25015761
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 11741926

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide?
The IUPAC name of 4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide (CID 14881958) is 4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide.
What is the SMILES notation for 4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide?
The canonical SMILES for 4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide is Nc1cc(OCCCc2ccccc2)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.
What is the InChIKey of 4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide?
The InChIKey is IYYGEGUIAYLWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O3/c29-25-16-24(27(17-26(25)30)35-14-7-12-21-8-3-1-4-9-21)28(33)31-18-23-20-32(13-15-34-23)19-22-10-5-2-6-11-22/h1-6,8-11,16-17,23H,7,12-15,18-20,30H2,(H,31,33).
What are the key properties of 4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide?
4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide has a molecular weight of 494.04 g/mol, XLogP of 4.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide is sourced from PubChem (CID 14881958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).