4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide

C22H29ClN4O3 — CID 14881951

IUPAC4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide
SMILESNCCCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C22H29ClN4O3/c23-19-11-18(21(12-20(19)25)30-9-4-7-24)22(28)26-13-17-15-27(8-10-29-17)14-16-5-2-1-3-6-16/h1-3,5-6,11-12,17H,4,7-10,13-15,24-25H2,(H,26,28)
InChIKeyHAPBSKISDXLKHF-UHFFFAOYSA-N
MW432.95 g/mol
LogP2.28
Rot. Bonds9

About 4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide

4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide (PubChem CID 14881951) has the molecular formula C22H29ClN4O3 and a molecular weight of 432.95 g/mol. Its IUPAC name is 4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide.

Molecular Properties

Compound Name4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide
PubChem CID14881951
Molecular FormulaC22H29ClN4O3
Molecular Weight432.95 g/mol
Exact Mass432.19
IUPAC Name4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide
SMILESNCCCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C22H29ClN4O3/c23-19-11-18(21(12-20(19)25)30-9-4-7-24)22(28)26-13-17-15-27(8-10-29-17)14-16-5-2-1-3-6-16/h1-3,5-6,11-12,17H,4,7-10,13-15,24-25H2,(H,26,28)
InChIKeyHAPBSKISDXLKHF-UHFFFAOYSA-N
XLogP2.28
TPSA102.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide
CID 14881958
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-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 14877438
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-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide
CID 14877428
4-amino-5-chloro-N-[[4-[(2-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 3087006
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-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide?
The IUPAC name of 4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide (CID 14881951) is 4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide.
What is the SMILES notation for 4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide?
The canonical SMILES for 4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide is NCCCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide?
The InChIKey is HAPBSKISDXLKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O3/c23-19-11-18(21(12-20(19)25)30-9-4-7-24)22(28)26-13-17-15-27(8-10-29-17)14-16-5-2-1-3-6-16/h1-3,5-6,11-12,17H,4,7-10,13-15,24-25H2,(H,26,28).
What are the key properties of 4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide?
4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide has a molecular weight of 432.95 g/mol, XLogP of 2.28, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide is sourced from PubChem (CID 14881951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).