[7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid

C23H27N3O4 — CID 137480951

IUPAC[7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid
SMILESO=C(O)NC1COc2cc(N3CCN(Cc4ccccc4)C4(COC4)C3)ccc2C1
InChIInChI=1S/C23H27N3O4/c27-22(28)24-19-10-18-6-7-20(11-21(18)30-13-19)25-8-9-26(23(14-25)15-29-16-23)12-17-4-2-1-3-5-17/h1-7,11,19,24H,8-10,12-16H2,(H,27,28)
InChIKeyNBQLOHNCQGPROR-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.35
Rot. Bonds4

About [7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid

[7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid (PubChem CID 137480951) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is [7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid.

Molecular Properties

Compound Name[7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid
PubChem CID137480951
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name[7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid
SMILESO=C(O)NC1COc2cc(N3CCN(Cc4ccccc4)C4(COC4)C3)ccc2C1
InChIInChI=1S/C23H27N3O4/c27-22(28)24-19-10-18-6-7-20(11-21(18)30-13-19)25-8-9-26(23(14-25)15-29-16-23)12-17-4-2-1-3-5-17/h1-7,11,19,24H,8-10,12-16H2,(H,27,28)
InChIKeyNBQLOHNCQGPROR-UHFFFAOYSA-N
XLogP2.35
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamic acid
CID 137480448
5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid
CID 137480761
4-hydroxy-4-[(3S)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-chromen-7-yl]piperidine-1-carboxylic acid
CID 137480839
3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 151307460
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-[(3S)-3,4-dihydro-2H-chromen-3-yl]urea
CID 92765158
1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide
CID 126805018
1-(3,4-dihydro-2H-chromen-3-yl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 22580866
(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid
CID 66757512
3-amino-N-[(3R)-7-[(4S,5R)-4-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 152606359
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 118770631
[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid
CID 66684624

Frequently Asked Questions

What is the IUPAC name of [7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid?
The IUPAC name of [7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid (CID 137480951) is [7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid.
What is the SMILES notation for [7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid?
The canonical SMILES for [7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid is O=C(O)NC1COc2cc(N3CCN(Cc4ccccc4)C4(COC4)C3)ccc2C1.
What is the InChIKey of [7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid?
The InChIKey is NBQLOHNCQGPROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c27-22(28)24-19-10-18-6-7-20(11-21(18)30-13-19)25-8-9-26(23(14-25)15-29-16-23)12-17-4-2-1-3-5-17/h1-7,11,19,24H,8-10,12-16H2,(H,27,28).
What are the key properties of [7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid?
[7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid has a molecular weight of 409.49 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid is sourced from PubChem (CID 137480951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).