N-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide

C20H27N3O4 — CID 166407354

IUPACN-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)NCC2(N3CCOCC3)CCOCC2)c1
InChIInChI=1S/C20H27N3O4/c1-2-18(24)22-17-5-3-4-16(14-17)19(25)21-15-20(6-10-26-11-7-20)23-8-12-27-13-9-23/h2-5,14H,1,6-13,15H2,(H,21,25)(H,22,24)
InChIKeyUXBPXXYOQUFANK-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.42
Rot. Bonds6

About N-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide

N-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide (PubChem CID 166407354) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide
PubChem CID166407354
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)NCC2(N3CCOCC3)CCOCC2)c1
InChIInChI=1S/C20H27N3O4/c1-2-18(24)22-17-5-3-4-16(14-17)19(25)21-15-20(6-10-26-11-7-20)23-8-12-27-13-9-23/h2-5,14H,1,6-13,15H2,(H,21,25)(H,22,24)
InChIKeyUXBPXXYOQUFANK-UHFFFAOYSA-N
XLogP1.42
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
CID 125420203
3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737
3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505015
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide
CID 17404060
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17391709
3-bromo-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
CID 18150703
N-[[6-(hydroxymethyl)-5-methyl-8-oxa-5-azaspiro[3.5]nonan-6-yl]methyl]-3-(prop-2-enoylamino)benzamide
CID 166407385
N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]-3-(prop-2-enoylamino)benzamide
CID 166412242
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360
1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696476
N-[[(1R,6R)-7,7-difluoro-2-oxabicyclo[4.1.0]heptan-1-yl]methyl]-3-(prop-2-enoylamino)benzamide
CID 166407372

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide?
The IUPAC name of N-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide (CID 166407354) is N-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1cccc(C(=O)NCC2(N3CCOCC3)CCOCC2)c1.
What is the InChIKey of N-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide?
The InChIKey is UXBPXXYOQUFANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-2-18(24)22-17-5-3-4-16(14-17)19(25)21-15-20(6-10-26-11-7-20)23-8-12-27-13-9-23/h2-5,14H,1,6-13,15H2,(H,21,25)(H,22,24).
What are the key properties of N-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide?
N-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide has a molecular weight of 373.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 166407354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).