N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide

C21H27N3O3 — CID 170385161

IUPACN-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCCCCNC(=O)NCc1ccc(O)cc1
InChIInChI=1S/C21H27N3O3/c1-16-7-3-4-8-19(16)20(26)22-13-5-2-6-14-23-21(27)24-15-17-9-11-18(25)12-10-17/h3-4,7-12,25H,2,5-6,13-15H2,1H3,(H,22,26)(H2,23,24,27)
InChIKeyOTGFFQBOUJXSPQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.10
Rot. Bonds9

About N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide

N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide (PubChem CID 170385161) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide
PubChem CID170385161
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCCCCNC(=O)NCc1ccc(O)cc1
InChIInChI=1S/C21H27N3O3/c1-16-7-3-4-8-19(16)20(26)22-13-5-2-6-14-23-21(27)24-15-17-9-11-18(25)12-10-17/h3-4,7-12,25H,2,5-6,13-15H2,1H3,(H,22,26)(H2,23,24,27)
InChIKeyOTGFFQBOUJXSPQ-UHFFFAOYSA-N
XLogP3.10
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hentriacontyl-3-[(4-hydroxyphenyl)methyl]urea
CID 139845203
1-[(4-hydroxyphenyl)methyl]-3-pentadecylurea
CID 19597068
1-[(4-hydroxyphenyl)methyl]-3-tetratriacontylurea
CID 139845221
N-hexyl-2-methylbenzamide
CID 3017102
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide
CID 82097440
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide
CID 23824532
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629
2-hydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
CID 47148502
N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide
CID 8533527

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide?
The IUPAC name of N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide (CID 170385161) is N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide.
What is the SMILES notation for N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide?
The canonical SMILES for N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCCCCNC(=O)NCc1ccc(O)cc1.
What is the InChIKey of N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide?
The InChIKey is OTGFFQBOUJXSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-7-3-4-8-19(16)20(26)22-13-5-2-6-14-23-21(27)24-15-17-9-11-18(25)12-10-17/h3-4,7-12,25H,2,5-6,13-15H2,1H3,(H,22,26)(H2,23,24,27).
What are the key properties of N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide?
N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide has a molecular weight of 369.47 g/mol, XLogP of 3.10, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide is sourced from PubChem (CID 170385161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).