1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione

C24H30N4O5 — CID 110063439

IUPAC1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCN1C(=O)c2ccccc2OCCCCC[C@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C24H30N4O5/c1-26-18-10-7-13-28(22(30)16-27-14-12-21(29)25-24(27)32)19(18)9-3-2-6-15-33-20-11-5-4-8-17(20)23(26)31/h4-5,8,11-12,14,18-19H,2-3,6-7,9-10,13,15-16H2,1H3,(H,25,29,32)/t18-,19-/m0/s1
InChIKeyUIAIWCUBUZNQQE-OALUTQOASA-N
MW454.53 g/mol
LogP1.62
Rot. Bonds2

About 1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 110063439) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID110063439
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Name1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCN1C(=O)c2ccccc2OCCCCC[C@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C24H30N4O5/c1-26-18-10-7-13-28(22(30)16-27-14-12-21(29)25-24(27)32)19(18)9-3-2-6-15-33-20-11-5-4-8-17(20)23(26)31/h4-5,8,11-12,14,18-19H,2-3,6-7,9-10,13,15-16H2,1H3,(H,25,29,32)/t18-,19-/m0/s1
InChIKeyUIAIWCUBUZNQQE-OALUTQOASA-N
XLogP1.62
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489540
1-[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9392324
(1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one
CID 155901497
(2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 79034879
1-[2-[(4aS,9aS)-4a,5-dimethyl-2,3,4,6,7,8,9,9a-octahydropyrido[3,2-b]azepin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 155901236
1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95556090
1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione
CID 155499136
2-[2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]isoquinolin-1-one
CID 124739149
(3S,8R)-17-methyl-9-propanoyl-2-oxa-9,17-diazatricyclo[17.4.0.03,8]tricosa-1(23),19,21-trien-18-one
CID 155994630
(1S,13E,16S)-17-[2-(2-oxopyrimidin-1-yl)acetyl]-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8,13-tetraen-3-one
CID 133072577
1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119493465
(3S,8R)-9-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-16-methyl-2-oxa-9,16-diazatricyclo[16.4.0.03,8]docosa-1(22),18,20-trien-17-one
CID 133077805

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 110063439) is 1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione is CN1C(=O)c2ccccc2OCCCCC[C@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is UIAIWCUBUZNQQE-OALUTQOASA-N. The full InChI is InChI=1S/C24H30N4O5/c1-26-18-10-7-13-28(22(30)16-27-14-12-21(29)25-24(27)32)19(18)9-3-2-6-15-33-20-11-5-4-8-17(20)23(26)31/h4-5,8,11-12,14,18-19H,2-3,6-7,9-10,13,15-16H2,1H3,(H,25,29,32)/t18-,19-/m0/s1.
What are the key properties of 1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 454.53 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S,16S)-2-methyl-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-17-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 110063439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).