N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide

C30H45N3O4 — CID 3490337

IUPACN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide
SMILESCCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(CCc1ccccc1)Cc1ccco1
InChIInChI=1S/C30H45N3O4/c1-2-3-4-5-6-10-15-29(34)33(19-18-31-20-23-36-24-21-31)26-30(35)32(25-28-14-11-22-37-28)17-16-27-12-8-7-9-13-27/h7-9,11-14,22H,2-6,10,15-21,23-26H2,1H3
InChIKeyVPJLZUVDIVOBAB-UHFFFAOYSA-N
MW511.71 g/mol
LogP4.76
Rot. Bonds17

About N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide

N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide (PubChem CID 3490337) has the molecular formula C30H45N3O4 and a molecular weight of 511.71 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide
PubChem CID3490337
Molecular FormulaC30H45N3O4
Molecular Weight511.71 g/mol
Exact Mass511.34
IUPAC NameN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide
SMILESCCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(CCc1ccccc1)Cc1ccco1
InChIInChI=1S/C30H45N3O4/c1-2-3-4-5-6-10-15-29(34)33(19-18-31-20-23-36-24-21-31)26-30(35)32(25-28-14-11-22-37-28)17-16-27-12-8-7-9-13-27/h7-9,11-14,22H,2-6,10,15-21,23-26H2,1H3
InChIKeyVPJLZUVDIVOBAB-UHFFFAOYSA-N
XLogP4.76
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.71
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)nonanamide
CID 3941830
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 5038488
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
CID 3358499
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-prop-2-enyltetradecanamide
CID 42664586
3-fluoro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 3371918
2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3894697
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide
CID 3897940
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide
CID 3880529
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(2-phenylethyl)acetamide
CID 4315085
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide
CID 3541849
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 3488894
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpentanamide
CID 3907966

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide (CID 3490337) is N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide is CCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(CCc1ccccc1)Cc1ccco1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide?
The InChIKey is VPJLZUVDIVOBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3O4/c1-2-3-4-5-6-10-15-29(34)33(19-18-31-20-23-36-24-21-31)26-30(35)32(25-28-14-11-22-37-28)17-16-27-12-8-7-9-13-27/h7-9,11-14,22H,2-6,10,15-21,23-26H2,1H3.
What are the key properties of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide?
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide has a molecular weight of 511.71 g/mol, XLogP of 4.76, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide is sourced from PubChem (CID 3490337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).