N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide

C15H22N2O3 — CID 107300460

IUPACN-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCCCC(C)O)cc1
InChIInChI=1S/C15H22N2O3/c1-11-5-7-13(8-6-11)15(20)17-10-14(19)16-9-3-4-12(2)18/h5-8,12,18H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyWRUOKJGMOAQRFO-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.00
Rot. Bonds7

About N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide

N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide (PubChem CID 107300460) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide
PubChem CID107300460
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCCCC(C)O)cc1
InChIInChI=1S/C15H22N2O3/c1-11-5-7-13(8-6-11)15(20)17-10-14(19)16-9-3-4-12(2)18/h5-8,12,18H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyWRUOKJGMOAQRFO-UHFFFAOYSA-N
XLogP1.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 106134450
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 43389073
3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 107299544
4-hydroxy-N-(4-hydroxypentyl)benzamide
CID 107300182
4-(dimethylamino)-N-(4-hydroxypentyl)benzamide
CID 107329726
N-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide
CID 115695919
3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43360766
N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide
CID 17349905
4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide
CID 107300353
4-ethoxy-N-(4-hydroxypentyl)benzamide
CID 107299822
4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110113
(2S)-3-methyl-2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 54494581

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide (CID 107300460) is N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)NCCCC(C)O)cc1.
What is the InChIKey of N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide?
The InChIKey is WRUOKJGMOAQRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-5-7-13(8-6-11)15(20)17-10-14(19)16-9-3-4-12(2)18/h5-8,12,18H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide?
N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 107300460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).