4-amino-N-(2-hydroxyethyl)-N-propylbenzamide

C12H18N2O2 — CID 60946109

IUPAC4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O2/c1-2-7-14(8-9-15)12(16)10-3-5-11(13)6-4-10/h3-6,15H,2,7-9,13H2,1H3
InChIKeyXCEFTTHXGPWKCR-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.11
Rot. Bonds5

About 4-amino-N-(2-hydroxyethyl)-N-propylbenzamide

4-amino-N-(2-hydroxyethyl)-N-propylbenzamide (PubChem CID 60946109) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-N-propylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
PubChem CID60946109
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O2/c1-2-7-14(8-9-15)12(16)10-3-5-11(13)6-4-10/h3-6,15H,2,7-9,13H2,1H3
InChIKeyXCEFTTHXGPWKCR-UHFFFAOYSA-N
XLogP1.11
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-butyl-N-propylbenzamide
CID 127119640
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
6-amino-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 62162096
4-amino-N,N-didodecylbenzamide
CID 5077826
4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655710
N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide
CID 60656648
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide
CID 94810814
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
CID 112706331
6-hydrazinyl-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 62249442

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-propylbenzamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-propylbenzamide (CID 60946109) is 4-amino-N-(2-hydroxyethyl)-N-propylbenzamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-N-propylbenzamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-N-propylbenzamide is CCCN(CCO)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-N-propylbenzamide?
The InChIKey is XCEFTTHXGPWKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-7-14(8-9-15)12(16)10-3-5-11(13)6-4-10/h3-6,15H,2,7-9,13H2,1H3.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-N-propylbenzamide?
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-N-propylbenzamide is sourced from PubChem (CID 60946109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).