(2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C22H30N4O4 — CID 95794815

IUPAC(2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)NC[C@@H]3CCCO3)CC1)NC2=O
InChIInChI=1S/C22H30N4O4/c1-14-5-6-17-18(12-14)24-22(25-21(17)29)8-7-19(27)26(10-9-22)15(2)20(28)23-13-16-4-3-11-30-16/h5-6,12,15-16,24H,3-4,7-11,13H2,1-2H3,(H,23,28)(H,25,29)/t15-,16+,22-/m1/s1
InChIKeyUESVDNNOMHEMPN-ZMPRRUGASA-N
MW414.51 g/mol
LogP1.54
Rot. Bonds4

About (2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 95794815) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is (2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID95794815
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name(2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)NC[C@@H]3CCCO3)CC1)NC2=O
InChIInChI=1S/C22H30N4O4/c1-14-5-6-17-18(12-14)24-22(25-21(17)29)8-7-19(27)26(10-9-22)15(2)20(28)23-13-16-4-3-11-30-16/h5-6,12,15-16,24H,3-4,7-11,13H2,1-2H3,(H,23,28)(H,25,29)/t15-,16+,22-/m1/s1
InChIKeyUESVDNNOMHEMPN-ZMPRRUGASA-N
XLogP1.54
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide with MolForge

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Related Compounds

(2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 95794868
2-(6-methyl-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 110213157
ethyl (2S)-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanoate
CID 95793434
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 17034856
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 128592950
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 776917
2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3128939
2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 136525948
2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 4512257
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
2-(7-methyl-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)-N-prop-2-enylpropanamide
CID 110213089
2-(7-methyl-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)-N-propan-2-ylpropanamide
CID 110213097

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 95794815) is (2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)NC[C@@H]3CCCO3)CC1)NC2=O.
What is the InChIKey of (2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is UESVDNNOMHEMPN-ZMPRRUGASA-N. The full InChI is InChI=1S/C22H30N4O4/c1-14-5-6-17-18(12-14)24-22(25-21(17)29)8-7-19(27)26(10-9-22)15(2)20(28)23-13-16-4-3-11-30-16/h5-6,12,15-16,24H,3-4,7-11,13H2,1-2H3,(H,23,28)(H,25,29)/t15-,16+,22-/m1/s1.
What are the key properties of (2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 414.51 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 95794815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).