N-methyl-N-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide

C22H30N2O3 — CID 92583652

IUPACN-methyl-N-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide
SMILESCC(=O)N(C)C1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C)Cc1ccccc1O2
InChIInChI=1S/C22H30N2O3/c1-15-12-19(15)21(26)24-13-17-6-4-5-7-20(17)27-22(14-24)10-8-18(9-11-22)23(3)16(2)25/h4-7,15,18-19H,8-14H2,1-3H3/t15-,18?,19+,22?/m1/s1
InChIKeyASLFBUMBMJAWFK-XPKSXUOMSA-N
MW370.49 g/mol
LogP3.22
Rot. Bonds2

About N-methyl-N-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide

N-methyl-N-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide (PubChem CID 92583652) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-methyl-N-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide
PubChem CID92583652
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-methyl-N-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide
SMILESCC(=O)N(C)C1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C)Cc1ccccc1O2
InChIInChI=1S/C22H30N2O3/c1-15-12-19(15)21(26)24-13-17-6-4-5-7-20(17)27-22(14-24)10-8-18(9-11-22)23(3)16(2)25/h4-7,15,18-19H,8-14H2,1-3H3/t15-,18?,19+,22?/m1/s1
InChIKeyASLFBUMBMJAWFK-XPKSXUOMSA-N
XLogP3.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide?
The IUPAC name of N-methyl-N-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide (CID 92583652) is N-methyl-N-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide?
The canonical SMILES for N-methyl-N-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide is CC(=O)N(C)C1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C)Cc1ccccc1O2.
What is the InChIKey of N-methyl-N-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide?
The InChIKey is ASLFBUMBMJAWFK-XPKSXUOMSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-15-12-19(15)21(26)24-13-17-6-4-5-7-20(17)27-22(14-24)10-8-18(9-11-22)23(3)16(2)25/h4-7,15,18-19H,8-14H2,1-3H3/t15-,18?,19+,22?/m1/s1.
What are the key properties of N-methyl-N-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide?
N-methyl-N-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide has a molecular weight of 370.49 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide is sourced from PubChem (CID 92583652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).