2-amino-N-(4-hydroxypentyl)benzamide

C12H18N2O2 — CID 106118828

IUPAC2-amino-N-(4-hydroxypentyl)benzamide
SMILESCC(O)CCCNC(=O)c1ccccc1N
InChIInChI=1S/C12H18N2O2/c1-9(15)5-4-8-14-12(16)10-6-2-3-7-11(10)13/h2-3,6-7,9,15H,4-5,8,13H2,1H3,(H,14,16)
InChIKeyHNBVDTRLAMMQBQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.16
Rot. Bonds5

About 2-amino-N-(4-hydroxypentyl)benzamide

2-amino-N-(4-hydroxypentyl)benzamide (PubChem CID 106118828) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxypentyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxypentyl)benzamide
PubChem CID106118828
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-N-(4-hydroxypentyl)benzamide
SMILESCC(O)CCCNC(=O)c1ccccc1N
InChIInChI=1S/C12H18N2O2/c1-9(15)5-4-8-14-12(16)10-6-2-3-7-11(10)13/h2-3,6-7,9,15H,4-5,8,13H2,1H3,(H,14,16)
InChIKeyHNBVDTRLAMMQBQ-UHFFFAOYSA-N
XLogP1.16
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxypentyl)-2-sulfanylbenzamide
CID 106137767
2-ethyl-N-(4-hydroxypentyl)benzamide
CID 107300304
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
2-amino-N-(2-hydroxypropyl)benzamide;hydrochloride
CID 142025240
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
2-amino-N-dodecylbenzamide
CID 54099396
2-amino-4,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 106118883
2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
CID 119944236
3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 114145958
2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307
2-bromo-N-(4-bromopentyl)benzamide
CID 106131142
ethyl 4-[(2-aminobenzoyl)amino]butanoate;hydrochloride
CID 119944593

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxypentyl)benzamide?
The IUPAC name of 2-amino-N-(4-hydroxypentyl)benzamide (CID 106118828) is 2-amino-N-(4-hydroxypentyl)benzamide.
What is the SMILES notation for 2-amino-N-(4-hydroxypentyl)benzamide?
The canonical SMILES for 2-amino-N-(4-hydroxypentyl)benzamide is CC(O)CCCNC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(4-hydroxypentyl)benzamide?
The InChIKey is HNBVDTRLAMMQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(15)5-4-8-14-12(16)10-6-2-3-7-11(10)13/h2-3,6-7,9,15H,4-5,8,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-N-(4-hydroxypentyl)benzamide?
2-amino-N-(4-hydroxypentyl)benzamide has a molecular weight of 222.29 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxypentyl)benzamide is sourced from PubChem (CID 106118828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).