4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride

C17H28Cl2N4O4 — CID 120595053

IUPAC4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C17H26N4O4.2ClH/c1-24-15(11-18)10-16(22)19-13-2-4-14(5-3-13)20-17(23)12-21-6-8-25-9-7-21;;/h2-5,15H,6-12,18H2,1H3,(H,19,22)(H,20,23);2*1H
InChIKeyAELCRFLCDGZWET-UHFFFAOYSA-N
MW423.34 g/mol
LogP1.10
Rot. Bonds8

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

4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride (PubChem CID 120595053) has the molecular formula C17H28Cl2N4O4 and a molecular weight of 423.34 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride
PubChem CID120595053
Molecular FormulaC17H28Cl2N4O4
Molecular Weight423.34 g/mol
Exact Mass422.15
IUPAC Name4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C17H26N4O4.2ClH/c1-24-15(11-18)10-16(22)19-13-2-4-14(5-3-13)20-17(23)12-21-6-8-25-9-7-21;;/h2-5,15H,6-12,18H2,1H3,(H,19,22)(H,20,23);2*1H
InChIKeyAELCRFLCDGZWET-UHFFFAOYSA-N
XLogP1.10
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride
CID 120596003
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]-3-methoxybutanamide
CID 120596131
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide
CID 120597087
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 120594765
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride (CID 120595053) is 4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride is COC(CN)CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1.Cl.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride?
The InChIKey is AELCRFLCDGZWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4.2ClH/c1-24-15(11-18)10-16(22)19-13-2-4-14(5-3-13)20-17(23)12-21-6-8-25-9-7-21;;/h2-5,15H,6-12,18H2,1H3,(H,19,22)(H,20,23);2*1H.
What are the key properties of 4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride?
4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride has a molecular weight of 423.34 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 120595053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).