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

C20H26N4O3 — CID 95793739

IUPAC(2R)-N-cyclobutyl-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanamide
SMILESC[C@H](C(=O)NC1CCC1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2
InChIInChI=1S/C20H26N4O3/c1-13(18(26)21-14-5-4-6-14)24-12-11-20(10-9-17(24)25)22-16-8-3-2-7-15(16)19(27)23-20/h2-3,7-8,13-14,22H,4-6,9-12H2,1H3,(H,21,26)(H,23,27)/t13-,20+/m1/s1
InChIKeyGVADOCYUNBUVED-XCLFUZPHSA-N
MW370.45 g/mol
LogP1.61
Rot. Bonds3

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

(2R)-N-cyclobutyl-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanamide (PubChem CID 95793739) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2R)-N-cyclobutyl-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclobutyl-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanamide
PubChem CID95793739
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(2R)-N-cyclobutyl-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanamide
SMILESC[C@H](C(=O)NC1CCC1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2
InChIInChI=1S/C20H26N4O3/c1-13(18(26)21-14-5-4-6-14)24-12-11-20(10-9-17(24)25)22-16-8-3-2-7-15(16)19(27)23-20/h2-3,7-8,13-14,22H,4-6,9-12H2,1H3,(H,21,26)(H,23,27)/t13-,20+/m1/s1
InChIKeyGVADOCYUNBUVED-XCLFUZPHSA-N
XLogP1.61
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclobutyl-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanamide?
The IUPAC name of (2R)-N-cyclobutyl-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanamide (CID 95793739) is (2R)-N-cyclobutyl-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclobutyl-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanamide?
The canonical SMILES for (2R)-N-cyclobutyl-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanamide is C[C@H](C(=O)NC1CCC1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2.
What is the InChIKey of (2R)-N-cyclobutyl-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanamide?
The InChIKey is GVADOCYUNBUVED-XCLFUZPHSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13(18(26)21-14-5-4-6-14)24-12-11-20(10-9-17(24)25)22-16-8-3-2-7-15(16)19(27)23-20/h2-3,7-8,13-14,22H,4-6,9-12H2,1H3,(H,21,26)(H,23,27)/t13-,20+/m1/s1.
What are the key properties of (2R)-N-cyclobutyl-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanamide?
(2R)-N-cyclobutyl-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanamide has a molecular weight of 370.45 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclobutyl-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanamide is sourced from PubChem (CID 95793739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).