N-methyl-4-[[methyl-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]benzamide

About N-methyl-4-[[methyl-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]benzamide (PubChem CID 8965953) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound Name	N-methyl-4-[[methyl-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]benzamide
PubChem CID	8965953
Molecular Formula	C21H28N4O4
Molecular Weight	400.48 g/mol
Exact Mass	400.21
IUPAC Name	N-methyl-4-[[methyl-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]benzamide
SMILES	CNC(=O)c1ccc(CN(C)C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1
InChI	InChI=1S/C21H28N4O4/c1-14-6-4-5-11-21(14)19(28)25(20(29)23-21)13-17(26)24(3)12-15-7-9-16(10-8-15)18(27)22-2/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,27)(H,23,29)/t14-,21-/m0/s1
InChIKey	CYBYOVQOHAFLQQ-QKKBWIMNSA-N
XLogP	1.51
TPSA	98.82 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]benzamide?

The IUPAC name of N-methyl-4-[[methyl-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]benzamide (CID 8965953) is N-methyl-4-[[methyl-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]benzamide.

What is the SMILES notation for N-methyl-4-[[methyl-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]benzamide?

The canonical SMILES for N-methyl-4-[[methyl-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1.

What is the InChIKey of N-methyl-4-[[methyl-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]benzamide?

The InChIKey is CYBYOVQOHAFLQQ-QKKBWIMNSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-14-6-4-5-11-21(14)19(28)25(20(29)23-21)13-17(26)24(3)12-15-7-9-16(10-8-15)18(27)22-2/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,27)(H,23,29)/t14-,21-/m0/s1.

What are the key properties of N-methyl-4-[[methyl-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]benzamide?

N-methyl-4-[[methyl-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-[[methyl-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 8965953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).