6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate

C15H25N2O7P — CID 101203083

IUPAC6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate
SMILESO=C(CCC(=O)NCc1ccco1)NCCCCCCOP(=O)(O)O
InChIInChI=1S/C15H25N2O7P/c18-14(7-8-15(19)17-12-13-6-5-10-23-13)16-9-3-1-2-4-11-24-25(20,21)22/h5-6,10H,1-4,7-9,11-12H2,(H,16,18)(H,17,19)(H2,20,21,22)
InChIKeyULFNZXOUFVPADY-UHFFFAOYSA-N
MW376.35 g/mol
LogP1.46
Rot. Bonds13

About 6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate

6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate (PubChem CID 101203083) has the molecular formula C15H25N2O7P and a molecular weight of 376.35 g/mol. Its IUPAC name is 6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate.

Molecular Properties

Compound Name6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate
PubChem CID101203083
Molecular FormulaC15H25N2O7P
Molecular Weight376.35 g/mol
Exact Mass376.14
IUPAC Name6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate
SMILESO=C(CCC(=O)NCc1ccco1)NCCCCCCOP(=O)(O)O
InChIInChI=1S/C15H25N2O7P/c18-14(7-8-15(19)17-12-13-6-5-10-23-13)16-9-3-1-2-4-11-24-25(20,21)22/h5-6,10H,1-4,7-9,11-12H2,(H,16,18)(H,17,19)(H2,20,21,22)
InChIKeyULFNZXOUFVPADY-UHFFFAOYSA-N
XLogP1.46
TPSA138.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide
CID 108943248
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate
CID 8859315
3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide
CID 25135773
6-(furan-2-ylmethylcarbamoylamino)hexanoic acid
CID 61188617
3-(furan-2-yl)-N-(6-iodohexyl)propanamide
CID 107848207
N-butyl-3-(furan-2-ylmethylamino)propanamide
CID 109012191
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide
CID 3229603
4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045256

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate?
The IUPAC name of 6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate (CID 101203083) is 6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate.
What is the SMILES notation for 6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate?
The canonical SMILES for 6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate is O=C(CCC(=O)NCc1ccco1)NCCCCCCOP(=O)(O)O.
What is the InChIKey of 6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate?
The InChIKey is ULFNZXOUFVPADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N2O7P/c18-14(7-8-15(19)17-12-13-6-5-10-23-13)16-9-3-1-2-4-11-24-25(20,21)22/h5-6,10H,1-4,7-9,11-12H2,(H,16,18)(H,17,19)(H2,20,21,22).
What are the key properties of 6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate?
6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate has a molecular weight of 376.35 g/mol, XLogP of 1.46, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate is sourced from PubChem (CID 101203083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).