N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide

C27H31ClN2O4 — CID 45155229

IUPACN-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide
SMILESCc1cc2oc(C(=O)NCC(c3ccc(C(C)(C)C)cc3)N3CCOCC3)cc(=O)c2cc1Cl
InChIInChI=1S/C27H31ClN2O4/c1-17-13-24-20(14-21(17)28)23(31)15-25(34-24)26(32)29-16-22(30-9-11-33-12-10-30)18-5-7-19(8-6-18)27(2,3)4/h5-8,13-15,22H,9-12,16H2,1-4H3,(H,29,32)
InChIKeyFZQRWBOUXRRRNB-UHFFFAOYSA-N
MW483.01 g/mol
LogP4.86
Rot. Bonds5

About N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide

N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide (PubChem CID 45155229) has the molecular formula C27H31ClN2O4 and a molecular weight of 483.01 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide
PubChem CID45155229
Molecular FormulaC27H31ClN2O4
Molecular Weight483.01 g/mol
Exact Mass482.20
IUPAC NameN-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide
SMILESCc1cc2oc(C(=O)NCC(c3ccc(C(C)(C)C)cc3)N3CCOCC3)cc(=O)c2cc1Cl
InChIInChI=1S/C27H31ClN2O4/c1-17-13-24-20(14-21(17)28)23(31)15-25(34-24)26(32)29-16-22(30-9-11-33-12-10-30)18-5-7-19(8-6-18)27(2,3)4/h5-8,13-15,22H,9-12,16H2,1-4H3,(H,29,32)
InChIKeyFZQRWBOUXRRRNB-UHFFFAOYSA-N
XLogP4.86
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.01
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide with MolForge

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Related Compounds

6-chloro-7-methyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide
CID 35578842
6-chloro-7-methyl-4-oxo-N-[(2R)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide
CID 35578846
N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 35577753
6-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide
CID 35574019
6-chloro-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 45155230
N-[2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-6-chloro-4-oxochromene-2-carboxamide;hydrochloride
CID 52988291
6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide
CID 35574653
6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 26835057
N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 50751397
7-bromo-N-[2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 52988347
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 43843785
N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
CID 35576257

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide (CID 45155229) is N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide is Cc1cc2oc(C(=O)NCC(c3ccc(C(C)(C)C)cc3)N3CCOCC3)cc(=O)c2cc1Cl.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide?
The InChIKey is FZQRWBOUXRRRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN2O4/c1-17-13-24-20(14-21(17)28)23(31)15-25(34-24)26(32)29-16-22(30-9-11-33-12-10-30)18-5-7-19(8-6-18)27(2,3)4/h5-8,13-15,22H,9-12,16H2,1-4H3,(H,29,32).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide?
N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide has a molecular weight of 483.01 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 45155229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).