4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde

C23H37ClN4O5 — CID 143850814

IUPAC4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde
SMILESCCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(CC2CCN(C)CC2)CCO1.O=CCO
InChIInChI=1S/C21H33ClN4O3.C2H4O2/c1-3-28-20-11-19(23)18(22)10-17(20)21(27)24-12-16-14-26(8-9-29-16)13-15-4-6-25(2)7-5-15;3-1-2-4/h10-11,15-16H,3-9,12-14,23H2,1-2H3,(H,24,27);1,4H,2H2
InChIKeyZESTVDNLSDADCV-UHFFFAOYSA-N
MW485.03 g/mol
LogP1.27
Rot. Bonds8

About 4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde

4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde (PubChem CID 143850814) has the molecular formula C23H37ClN4O5 and a molecular weight of 485.03 g/mol. Its IUPAC name is 4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde.

Molecular Properties

Compound Name4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde
PubChem CID143850814
Molecular FormulaC23H37ClN4O5
Molecular Weight485.03 g/mol
Exact Mass484.25
IUPAC Name4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde
SMILESCCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(CC2CCN(C)CC2)CCO1.O=CCO
InChIInChI=1S/C21H33ClN4O3.C2H4O2/c1-3-28-20-11-19(23)18(22)10-17(20)21(27)24-12-16-14-26(8-9-29-16)13-15-4-6-25(2)7-5-15;3-1-2-4/h10-11,15-16H,3-9,12-14,23H2,1-2H3,(H,24,27);1,4H,2H2
InChIKeyZESTVDNLSDADCV-UHFFFAOYSA-N
XLogP1.27
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide
CID 59510491
4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride
CID 67055727
CID 59510467
CID 59510467
2-[4-[[2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholin-4-yl]methyl]piperidin-1-yl]acetyl cyanide
CID 141247863
4-amino-5-chloro-2-methoxy-N-[[(2S)-4-[(1-methylsulfonylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide
CID 67055744
4-amino-5-chloro-N-[[4-[dideuterio-(2,3,5,6-tetradeuterio-4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide
CID 25015761
4-amino-5-chloro-N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide;hydrate;hydrochloride
CID 21156202
4-amino-5-chloro-N-[[4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide
CID 14877428
1-azabicyclo[5.2.0]nonan-3-yl 5-[2-[[(4-amino-5-chloro-2-ethoxybenzoyl)amino]methyl]morpholin-4-yl]pentanoate
CID 89066123
[(3R)-1-azabicyclo[5.2.0]nonan-3-yl] 6-[(2R)-2-[[(4-amino-5-chloro-2-ethoxybenzoyl)amino]methyl]morpholin-4-yl]hexanoate
CID 89066105
N-[[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-amino-5-chloro-2-ethoxybenzamide
CID 42635257
4-[(2S)-2-[[(4-amino-5-chloro-2-ethoxybenzoyl)amino]methyl]morpholin-4-yl]-4-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]butanoic acid
CID 68572949

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde?
The IUPAC name of 4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde (CID 143850814) is 4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde.
What is the SMILES notation for 4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde?
The canonical SMILES for 4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde is CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(CC2CCN(C)CC2)CCO1.O=CCO.
What is the InChIKey of 4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde?
The InChIKey is ZESTVDNLSDADCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN4O3.C2H4O2/c1-3-28-20-11-19(23)18(22)10-17(20)21(27)24-12-16-14-26(8-9-29-16)13-15-4-6-25(2)7-5-15;3-1-2-4/h10-11,15-16H,3-9,12-14,23H2,1-2H3,(H,24,27);1,4H,2H2.
What are the key properties of 4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde?
4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde has a molecular weight of 485.03 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde is sourced from PubChem (CID 143850814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).