N-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide

C22H27N3O3 — CID 71885337

IUPACN-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCc1ccc2nc3c(c(C(=O)NCC4(C(N)=O)CCOCC4)c2c1)CCCC3
InChIInChI=1S/C22H27N3O3/c1-14-6-7-18-16(12-14)19(15-4-2-3-5-17(15)25-18)20(26)24-13-22(21(23)27)8-10-28-11-9-22/h6-7,12H,2-5,8-11,13H2,1H3,(H2,23,27)(H,24,26)
InChIKeyVXIYMJCXZHBFMG-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.43
Rot. Bonds4

About N-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide

N-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide (PubChem CID 71885337) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
PubChem CID71885337
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCc1ccc2nc3c(c(C(=O)NCC4(C(N)=O)CCOCC4)c2c1)CCCC3
InChIInChI=1S/C22H27N3O3/c1-14-6-7-18-16(12-14)19(15-4-2-3-5-17(15)25-18)20(26)24-13-22(21(23)27)8-10-28-11-9-22/h6-7,12H,2-5,8-11,13H2,1H3,(H2,23,27)(H,24,26)
InChIKeyVXIYMJCXZHBFMG-UHFFFAOYSA-N
XLogP2.43
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
N-ethyl-8-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-carboxamide
CID 110489454
7-methyl-N-[2-(2-oxopiperidin-1-yl)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 166221804
oxolan-2-ylmethyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600369
7-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 26197572
7-methoxy-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 82452012
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 18138403
4-[[(2,4-dimethylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438197
7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 82450585
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 46528767
N-(2-acetamidoethyl)-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799636
7-chloro-N-(3-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799652

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The IUPAC name of N-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide (CID 71885337) is N-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide.
What is the SMILES notation for N-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The canonical SMILES for N-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide is Cc1ccc2nc3c(c(C(=O)NCC4(C(N)=O)CCOCC4)c2c1)CCCC3.
What is the InChIKey of N-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The InChIKey is VXIYMJCXZHBFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14-6-7-18-16(12-14)19(15-4-2-3-5-17(15)25-18)20(26)24-13-22(21(23)27)8-10-28-11-9-22/h6-7,12H,2-5,8-11,13H2,1H3,(H2,23,27)(H,24,26).
What are the key properties of N-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
N-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide is sourced from PubChem (CID 71885337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).