N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide

C23H32N2O4 — CID 54852924

IUPACN-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)NC(CO)C(O)c2ccc(N)cc2)cc1
InChIInChI=1S/C23H32N2O4/c1-2-3-4-5-6-15-29-20-13-9-18(10-14-20)23(28)25-21(16-26)22(27)17-7-11-19(24)12-8-17/h7-14,21-22,26-27H,2-6,15-16,24H2,1H3,(H,25,28)
InChIKeyZZOCYWHLCUNMOY-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.44
Rot. Bonds12

About N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide

N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide (PubChem CID 54852924) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide
PubChem CID54852924
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC NameN-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)NC(CO)C(O)c2ccc(N)cc2)cc1
InChIInChI=1S/C23H32N2O4/c1-2-3-4-5-6-15-29-20-13-9-18(10-14-20)23(28)25-21(16-26)22(27)17-7-11-19(24)12-8-17/h7-14,21-22,26-27H,2-6,15-16,24H2,1H3,(H,25,28)
InChIKeyZZOCYWHLCUNMOY-UHFFFAOYSA-N
XLogP3.44
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide 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

4-pentoxybenzohydrazide
CID 2727702
(4-hexoxyphenyl) 4-aminobenzoate
CID 54274650
methyl (2S)-2-[(4-hexoxybenzoyl)amino]pentanoate
CID 67361411
methyl (2S)-2-[(4-hexoxybenzoyl)amino]-3-methylbutanoate
CID 134179064
4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750873
4-heptoxy-N-methylbenzamide
CID 3291691
4-heptoxy-N-(1-phenylpropyl)benzamide
CID 43911534
N-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide
CID 18373005
N-[2,3-dihydroxy-3-(4-octoxyphenyl)propyl]acetamide
CID 170831241
4-heptoxy-N-(2-hydroxypropyl)benzamide
CID 3390549
ethyl (2R,3R)-2-[(4-butoxybenzoyl)amino]-3-hydroxybutanoate
CID 95635789
4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 98156453

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide?
The IUPAC name of N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide (CID 54852924) is N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide.
What is the SMILES notation for N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide?
The canonical SMILES for N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide is CCCCCCCOc1ccc(C(=O)NC(CO)C(O)c2ccc(N)cc2)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide?
The InChIKey is ZZOCYWHLCUNMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-2-3-4-5-6-15-29-20-13-9-18(10-14-20)23(28)25-21(16-26)22(27)17-7-11-19(24)12-8-17/h7-14,21-22,26-27H,2-6,15-16,24H2,1H3,(H,25,28).
What are the key properties of N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide?
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide has a molecular weight of 400.52 g/mol, XLogP of 3.44, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide is sourced from PubChem (CID 54852924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).