2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide

C20H33N3O4 — CID 134056195

IUPAC2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide
SMILESCc1ccc(C(CNC(=O)CCCNC(=O)C(C)(C)C)N2CCOCC2)o1
InChIInChI=1S/C20H33N3O4/c1-15-7-8-17(27-15)16(23-10-12-26-13-11-23)14-22-18(24)6-5-9-21-19(25)20(2,3)4/h7-8,16H,5-6,9-14H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyHNTNJYVIAPCDOL-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.02
Rot. Bonds8

About 2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide

2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide (PubChem CID 134056195) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide
PubChem CID134056195
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Name2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide
SMILESCc1ccc(C(CNC(=O)CCCNC(=O)C(C)(C)C)N2CCOCC2)o1
InChIInChI=1S/C20H33N3O4/c1-15-7-8-17(27-15)16(23-10-12-26-13-11-23)14-22-18(24)6-5-9-21-19(25)20(2,3)4/h7-8,16H,5-6,9-14H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyHNTNJYVIAPCDOL-UHFFFAOYSA-N
XLogP2.02
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide with MolForge

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Related Compounds

3-(methanesulfonamido)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 118763137
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide
CID 51283099
4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide
CID 24643824
3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 24643835
2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119837781
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenoxypropanamide
CID 95577240
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 125170167
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74233266
3-(3,4-difluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 46546938

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide (CID 134056195) is 2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide is Cc1ccc(C(CNC(=O)CCCNC(=O)C(C)(C)C)N2CCOCC2)o1.
What is the InChIKey of 2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide?
The InChIKey is HNTNJYVIAPCDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4/c1-15-7-8-17(27-15)16(23-10-12-26-13-11-23)14-22-18(24)6-5-9-21-19(25)20(2,3)4/h7-8,16H,5-6,9-14H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide?
2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide has a molecular weight of 379.50 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide is sourced from PubChem (CID 134056195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).