N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide

C16H21ClN6O3 — CID 155496538

IUPACN-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide
SMILESCOCCn1nnc(C2CN(C(=O)Nc3ccc(C)c(Cl)c3)CCO2)n1
InChIInChI=1S/C16H21ClN6O3/c1-11-3-4-12(9-13(11)17)18-16(24)22-5-8-26-14(10-22)15-19-21-23(20-15)6-7-25-2/h3-4,9,14H,5-8,10H2,1-2H3,(H,18,24)
InChIKeyKSKORLPUBJZEIQ-UHFFFAOYSA-N
MW380.84 g/mol
LogP1.89
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide

N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide (PubChem CID 155496538) has the molecular formula C16H21ClN6O3 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide
PubChem CID155496538
Molecular FormulaC16H21ClN6O3
Molecular Weight380.84 g/mol
Exact Mass380.14
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide
SMILESCOCCn1nnc(C2CN(C(=O)Nc3ccc(C)c(Cl)c3)CCO2)n1
InChIInChI=1S/C16H21ClN6O3/c1-11-3-4-12(9-13(11)17)18-16(24)22-5-8-26-14(10-22)15-19-21-23(20-15)6-7-25-2/h3-4,9,14H,5-8,10H2,1-2H3,(H,18,24)
InChIKeyKSKORLPUBJZEIQ-UHFFFAOYSA-N
XLogP1.89
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 72875963
[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 155500127
N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide
CID 162637516
[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 155507138
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone
CID 155497460
4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 155509505
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549
2-(2-methoxyethyl)-N-[4-(4-methylphenyl)phenyl]morpholine-4-carboxamide
CID 118784925
(2S)-N-[3-(3-chlorophenyl)phenyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97437523
2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 61398640
N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 86987031
N-(4-chlorophenyl)-2-(2-methylphenyl)morpholine-4-carboxamide
CID 110364497

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide (CID 155496538) is N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide is COCCn1nnc(C2CN(C(=O)Nc3ccc(C)c(Cl)c3)CCO2)n1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide?
The InChIKey is KSKORLPUBJZEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O3/c1-11-3-4-12(9-13(11)17)18-16(24)22-5-8-26-14(10-22)15-19-21-23(20-15)6-7-25-2/h3-4,9,14H,5-8,10H2,1-2H3,(H,18,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide is sourced from PubChem (CID 155496538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).