N-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide

C19H27N3O4 — CID 75130942

IUPACN-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCN2C(=O)C3C(OCC4CC4)CCN3C(=O)C12)C1CCC1
InChIInChI=1S/C19H27N3O4/c23-17(12-2-1-3-12)20-13-6-8-21-15(13)18(24)22-9-7-14(16(22)19(21)25)26-10-11-4-5-11/h11-16H,1-10H2,(H,20,23)
InChIKeySPDPRZYXOLSLKZ-UHFFFAOYSA-N
MW361.44 g/mol
LogP0.28
Rot. Bonds5

About N-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide

N-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide (PubChem CID 75130942) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide
PubChem CID75130942
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCN2C(=O)C3C(OCC4CC4)CCN3C(=O)C12)C1CCC1
InChIInChI=1S/C19H27N3O4/c23-17(12-2-1-3-12)20-13-6-8-21-15(13)18(24)22-9-7-14(16(22)19(21)25)26-10-11-4-5-11/h11-16H,1-10H2,(H,20,23)
InChIKeySPDPRZYXOLSLKZ-UHFFFAOYSA-N
XLogP0.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide (CID 75130942) is N-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide is O=C(NC1CCN2C(=O)C3C(OCC4CC4)CCN3C(=O)C12)C1CCC1.
What is the InChIKey of N-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide?
The InChIKey is SPDPRZYXOLSLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c23-17(12-2-1-3-12)20-13-6-8-21-15(13)18(24)22-9-7-14(16(22)19(21)25)26-10-11-4-5-11/h11-16H,1-10H2,(H,20,23).
What are the key properties of N-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide?
N-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide has a molecular weight of 361.44 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-(cyclopropylmethoxy)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 75130942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).