N-cyclopentyl-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide

C22H29N3O5 — CID 651979

IUPACN-cyclopentyl-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C22H29N3O5/c1-22(2)21(28)25(14-19(26)24-9-11-29-12-10-24)17-13-15(7-8-18(17)30-22)20(27)23-16-5-3-4-6-16/h7-8,13,16H,3-6,9-12,14H2,1-2H3,(H,23,27)
InChIKeyBOGTWOHLPFUDSR-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.72
Rot. Bonds4

About N-cyclopentyl-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide

N-cyclopentyl-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 651979) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-cyclopentyl-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID651979
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC NameN-cyclopentyl-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C22H29N3O5/c1-22(2)21(28)25(14-19(26)24-9-11-29-12-10-24)17-13-15(7-8-18(17)30-22)20(27)23-16-5-3-4-6-16/h7-8,13,16H,3-6,9-12,14H2,1-2H3,(H,23,27)
InChIKeyBOGTWOHLPFUDSR-UHFFFAOYSA-N
XLogP1.72
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-cyclopentyl-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide (CID 651979) is N-cyclopentyl-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide is CC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(CC(=O)N2CCOCC2)C1=O.
What is the InChIKey of N-cyclopentyl-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is BOGTWOHLPFUDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-22(2)21(28)25(14-19(26)24-9-11-29-12-10-24)17-13-15(7-8-18(17)30-22)20(27)23-16-5-3-4-6-16/h7-8,13,16H,3-6,9-12,14H2,1-2H3,(H,23,27).
What are the key properties of N-cyclopentyl-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide?
N-cyclopentyl-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 651979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).