N-[2-(5-benzylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide

C24H29N3O3 — CID 71520991

IUPACN-[2-(5-benzylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccccc1)c1ccccc1O2
InChIInChI=1S/C24H29N3O3/c1-19(28)25-17-23(29)26-14-11-24(12-15-26)13-16-27(18-20-7-3-2-4-8-20)21-9-5-6-10-22(21)30-24/h2-10H,11-18H2,1H3,(H,25,28)
InChIKeyPRLRUWLTLSQZPC-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.97
Rot. Bonds4

About N-[2-(5-benzylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide

N-[2-(5-benzylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide (PubChem CID 71520991) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-(5-benzylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-benzylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide
PubChem CID71520991
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[2-(5-benzylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccccc1)c1ccccc1O2
InChIInChI=1S/C24H29N3O3/c1-19(28)25-17-23(29)26-14-11-24(12-15-26)13-16-27(18-20-7-3-2-4-8-20)21-9-5-6-10-22(21)30-24/h2-10H,11-18H2,1H3,(H,25,28)
InChIKeyPRLRUWLTLSQZPC-UHFFFAOYSA-N
XLogP2.97
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[5-(3-phenylpropyl)spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]ethyl]acetamide
CID 50898433
N-[2-[5-[(2,5-difluorophenyl)methyl]spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]-2-oxoethyl]acetamide
CID 50899811
N-[2-[5-[(3-fluoro-2-methylphenyl)methyl]spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]-2-oxoethyl]acetamide
CID 50899809
2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone
CID 134800134
1-[2-[5-[(4-tert-butylphenyl)methyl]spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl]pyrrolidin-1-yl]ethanone
CID 71521310
(4-methylphenyl)-[5-(thiophen-2-ylmethyl)spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]methanone
CID 134795042
(3-chlorophenyl)-[5-[(2-ethoxyphenyl)methyl]spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]methanone
CID 134795596
1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119872708
4-[5-[(4-phenoxyphenyl)methyl]spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-cycloheptane]-1'-yl]-1-propan-2-yliminobutan-2-one
CID 123356639
[2-oxo-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)ethyl]urea
CID 164695148
1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 134073999
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-benzylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-[2-(5-benzylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide (CID 71520991) is N-[2-(5-benzylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-(5-benzylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-(5-benzylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccccc1)c1ccccc1O2.
What is the InChIKey of N-[2-(5-benzylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide?
The InChIKey is PRLRUWLTLSQZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-19(28)25-17-23(29)26-14-11-24(12-15-26)13-16-27(18-20-7-3-2-4-8-20)21-9-5-6-10-22(21)30-24/h2-10H,11-18H2,1H3,(H,25,28).
What are the key properties of N-[2-(5-benzylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide?
N-[2-(5-benzylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-benzylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 71520991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).