4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide

C14H22N2O2 — CID 142889038

IUPAC4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NCCCO)cc1C
InChIInChI=1S/C14H22N2O2/c1-3-7-16-14(18)13-6-5-12(10-11(13)2)15-8-4-9-17/h5-6,10,15,17H,3-4,7-9H2,1-2H3,(H,16,18)
InChIKeyJBOPZNGCXQVVNV-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.93
Rot. Bonds7

About 4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide

4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide (PubChem CID 142889038) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide.

Molecular Properties

Compound Name4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide
PubChem CID142889038
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NCCCO)cc1C
InChIInChI=1S/C14H22N2O2/c1-3-7-16-14(18)13-6-5-12(10-11(13)2)15-8-4-9-17/h5-6,10,15,17H,3-4,7-9H2,1-2H3,(H,16,18)
InChIKeyJBOPZNGCXQVVNV-UHFFFAOYSA-N
XLogP1.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.93
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-(ethylamino)-2-methyl-N-pentylbenzamide
CID 113400130
N-(2-ethoxy-2-methylpropyl)-2-methyl-4-(propylamino)benzamide
CID 114944148
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide
CID 113400228
2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide
CID 107589959
2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide
CID 107420570
4-[3-(diethylamino)propylamino]-2-methylbenzoic acid
CID 81281767
4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
CID 107316298
[2-methyl-4-(propylamino)phenyl]-phenylmethanone
CID 174896949
N-pentyl-4-(propylamino)benzamide
CID 62185567
2-methyl-4-(propylamino)-N-pyridazin-3-ylbenzamide
CID 116787892
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide?
The IUPAC name of 4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide (CID 142889038) is 4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide.
What is the SMILES notation for 4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide?
The canonical SMILES for 4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide is CCCNC(=O)c1ccc(NCCCO)cc1C.
What is the InChIKey of 4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide?
The InChIKey is JBOPZNGCXQVVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-7-16-14(18)13-6-5-12(10-11(13)2)15-8-4-9-17/h5-6,10,15,17H,3-4,7-9H2,1-2H3,(H,16,18).
What are the key properties of 4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide?
4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide is sourced from PubChem (CID 142889038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).