(3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate

C20H24N2O6 — CID 87611556

IUPAC(3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate
SMILESCCCOc1ccc(OC(=O)Nc2ccc(C(=O)NO)cc2)cc1OCCC
InChIInChI=1S/C20H24N2O6/c1-3-11-26-17-10-9-16(13-18(17)27-12-4-2)28-20(24)21-15-7-5-14(6-8-15)19(23)22-25/h5-10,13,25H,3-4,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyAPJIYVMPCUPOOL-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.99
Rot. Bonds9

About (3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate

(3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate (PubChem CID 87611556) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is (3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Name(3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate
PubChem CID87611556
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name(3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate
SMILESCCCOc1ccc(OC(=O)Nc2ccc(C(=O)NO)cc2)cc1OCCC
InChIInChI=1S/C20H24N2O6/c1-3-11-26-17-10-9-16(13-18(17)27-12-4-2)28-20(24)21-15-7-5-14(6-8-15)19(23)22-25/h5-10,13,25H,3-4,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyAPJIYVMPCUPOOL-UHFFFAOYSA-N
XLogP3.99
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 141154638
(4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate
CID 87699269
3-benzamido-N-hydroxy-4-propoxybenzamide
CID 127046660
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
CID 79342252
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
N-[3-(4-bromoanilino)-3-oxopropyl]-3-ethoxy-4-propoxybenzamide
CID 55952088

Frequently Asked Questions

What is the IUPAC name of (3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate?
The IUPAC name of (3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate (CID 87611556) is (3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate.
What is the SMILES notation for (3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate?
The canonical SMILES for (3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate is CCCOc1ccc(OC(=O)Nc2ccc(C(=O)NO)cc2)cc1OCCC.
What is the InChIKey of (3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate?
The InChIKey is APJIYVMPCUPOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-3-11-26-17-10-9-16(13-18(17)27-12-4-2)28-20(24)21-15-7-5-14(6-8-15)19(23)22-25/h5-10,13,25H,3-4,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of (3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate?
(3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate has a molecular weight of 388.42 g/mol, XLogP of 3.99, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate is sourced from PubChem (CID 87611556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).