N-[4-(1-aminobutyl)phenyl]-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanediamide

C25H32N4O6 — CID 90706980

IUPACN-[4-(1-aminobutyl)phenyl]-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanediamide
SMILESCCCC(N)c1ccc(NC(=O)C(O)CC(=O)N(CCO)c2cccc(N3CCOC3=O)c2)cc1
InChIInChI=1S/C25H32N4O6/c1-2-4-21(26)17-7-9-18(10-8-17)27-24(33)22(31)16-23(32)28(11-13-30)19-5-3-6-20(15-19)29-12-14-35-25(29)34/h3,5-10,15,21-22,30-31H,2,4,11-14,16,26H2,1H3,(H,27,33)
InChIKeyCUBZIFVVOBNZRH-UHFFFAOYSA-N
MW484.55 g/mol
LogP2.16
Rot. Bonds11

About N-[4-(1-aminobutyl)phenyl]-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanediamide

N-[4-(1-aminobutyl)phenyl]-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanediamide (PubChem CID 90706980) has the molecular formula C25H32N4O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is N-[4-(1-aminobutyl)phenyl]-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanediamide.

Molecular Properties

Compound NameN-[4-(1-aminobutyl)phenyl]-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanediamide
PubChem CID90706980
Molecular FormulaC25H32N4O6
Molecular Weight484.55 g/mol
Exact Mass484.23
IUPAC NameN-[4-(1-aminobutyl)phenyl]-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanediamide
SMILESCCCC(N)c1ccc(NC(=O)C(O)CC(=O)N(CCO)c2cccc(N3CCOC3=O)c2)cc1
InChIInChI=1S/C25H32N4O6/c1-2-4-21(26)17-7-9-18(10-8-17)27-24(33)22(31)16-23(32)28(11-13-30)19-5-3-6-20(15-19)29-12-14-35-25(29)34/h3,5-10,15,21-22,30-31H,2,4,11-14,16,26H2,1H3,(H,27,33)
InChIKeyCUBZIFVVOBNZRH-UHFFFAOYSA-N
XLogP2.16
TPSA145.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide
CID 91251800
N-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide
CID 91011671
2-amino-4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 62475194
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 61178628
3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one
CID 164875438
3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 175895706
(2S)-2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-phenylpentanamide
CID 97258741
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide;hydrochloride
CID 67223464
3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
CID 65295167
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037
5-hydroxy-N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-2-propylpentanamide
CID 126839318
N-[4-[(1S)-1-aminobutyl]phenyl]acetamide;hydrochloride
CID 171226181

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminobutyl)phenyl]-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanediamide?
The IUPAC name of N-[4-(1-aminobutyl)phenyl]-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanediamide (CID 90706980) is N-[4-(1-aminobutyl)phenyl]-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanediamide.
What is the SMILES notation for N-[4-(1-aminobutyl)phenyl]-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanediamide?
The canonical SMILES for N-[4-(1-aminobutyl)phenyl]-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanediamide is CCCC(N)c1ccc(NC(=O)C(O)CC(=O)N(CCO)c2cccc(N3CCOC3=O)c2)cc1.
What is the InChIKey of N-[4-(1-aminobutyl)phenyl]-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanediamide?
The InChIKey is CUBZIFVVOBNZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O6/c1-2-4-21(26)17-7-9-18(10-8-17)27-24(33)22(31)16-23(32)28(11-13-30)19-5-3-6-20(15-19)29-12-14-35-25(29)34/h3,5-10,15,21-22,30-31H,2,4,11-14,16,26H2,1H3,(H,27,33).
What are the key properties of N-[4-(1-aminobutyl)phenyl]-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanediamide?
N-[4-(1-aminobutyl)phenyl]-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanediamide has a molecular weight of 484.55 g/mol, XLogP of 2.16, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminobutyl)phenyl]-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanediamide is sourced from PubChem (CID 90706980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).