4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide

C22H21N3O5 — CID 55524189

IUPAC4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C22H21N3O5/c26-18-12-20(30-19-6-2-1-5-17(18)19)21(27)24-14-7-9-15(10-8-14)25-22(28)23-13-16-4-3-11-29-16/h1-2,5-10,12,16H,3-4,11,13H2,(H,24,27)(H2,23,25,28)
InChIKeyBUPJYFAIFCNSQP-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.35
Rot. Bonds5

About 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide

4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide (PubChem CID 55524189) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide
PubChem CID55524189
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C22H21N3O5/c26-18-12-20(30-19-6-2-1-5-17(18)19)21(27)24-14-7-9-15(10-8-14)25-22(28)23-13-16-4-3-11-29-16/h1-2,5-10,12,16H,3-4,11,13H2,(H,24,27)(H2,23,25,28)
InChIKeyBUPJYFAIFCNSQP-UHFFFAOYSA-N
XLogP3.35
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-2-carboxamide
CID 40775936
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 46537419
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
4-oxo-N-(oxolan-2-ylmethyl)furo[2,3-b]chromene-2-carboxamide
CID 75769120
N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide
CID 47026428
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94069805
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(oxolan-2-ylmethyl)urea
CID 50762128
1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 94427132
2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 134050539

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide (CID 55524189) is 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide is O=C(NCC1CCCO1)Nc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide?
The InChIKey is BUPJYFAIFCNSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c26-18-12-20(30-19-6-2-1-5-17(18)19)21(27)24-14-7-9-15(10-8-14)25-22(28)23-13-16-4-3-11-29-16/h1-2,5-10,12,16H,3-4,11,13H2,(H,24,27)(H2,23,25,28).
What are the key properties of 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide?
4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide is sourced from PubChem (CID 55524189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).