2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide

C23H27ClN6O4 — CID 55745851

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide
SMILESCCNC(=O)COc1ccc(CNC(=O)C(CC)n2nnc(-c3ccc(Cl)cc3)n2)cc1OC
InChIInChI=1S/C23H27ClN6O4/c1-4-18(30-28-22(27-29-30)16-7-9-17(24)10-8-16)23(32)26-13-15-6-11-19(20(12-15)33-3)34-14-21(31)25-5-2/h6-12,18H,4-5,13-14H2,1-3H3,(H,25,31)(H,26,32)
InChIKeyZWCFOSSGQLELHW-UHFFFAOYSA-N
MW486.96 g/mol
LogP2.78
Rot. Bonds11

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide (PubChem CID 55745851) has the molecular formula C23H27ClN6O4 and a molecular weight of 486.96 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide
PubChem CID55745851
Molecular FormulaC23H27ClN6O4
Molecular Weight486.96 g/mol
Exact Mass486.18
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide
SMILESCCNC(=O)COc1ccc(CNC(=O)C(CC)n2nnc(-c3ccc(Cl)cc3)n2)cc1OC
InChIInChI=1S/C23H27ClN6O4/c1-4-18(30-28-22(27-29-30)16-7-9-17(24)10-8-16)23(32)26-13-15-6-11-19(20(12-15)33-3)34-14-21(31)25-5-2/h6-12,18H,4-5,13-14H2,1-3H3,(H,25,31)(H,26,32)
InChIKeyZWCFOSSGQLELHW-UHFFFAOYSA-N
XLogP2.78
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.96
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide with MolForge

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Related Compounds

2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 75478394
2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 55745695
N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 94870303
N-ethyl-2-[2-methoxy-4-[[(N'-methylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110915872
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-[4-[[(N-tert-butyl-N'-methylcarbamimidoyl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide;hydroiodide
CID 110964136
(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 29419335
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119712627
2-[4-[[[N-[2-(2-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 111883005
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]acetamide
CID 55781370
tert-butyl N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 55964120

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide (CID 55745851) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide is CCNC(=O)COc1ccc(CNC(=O)C(CC)n2nnc(-c3ccc(Cl)cc3)n2)cc1OC.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide?
The InChIKey is ZWCFOSSGQLELHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O4/c1-4-18(30-28-22(27-29-30)16-7-9-17(24)10-8-16)23(32)26-13-15-6-11-19(20(12-15)33-3)34-14-21(31)25-5-2/h6-12,18H,4-5,13-14H2,1-3H3,(H,25,31)(H,26,32).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide has a molecular weight of 486.96 g/mol, XLogP of 2.78, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide is sourced from PubChem (CID 55745851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).