N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide

C12H18N2O2 — CID 107670497

IUPACN-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(C)CCCN
InChIInChI=1S/C12H18N2O2/c1-9-8-10(15)4-5-11(9)12(16)14(2)7-3-6-13/h4-5,8,15H,3,6-7,13H2,1-2H3
InChIKeyHDWMNAAKCMFNFU-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.12
Rot. Bonds4

About N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide

N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide (PubChem CID 107670497) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide
PubChem CID107670497
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(C)CCCN
InChIInChI=1S/C12H18N2O2/c1-9-8-10(15)4-5-11(9)12(16)14(2)7-3-6-13/h4-5,8,15H,3,6-7,13H2,1-2H3
InChIKeyHDWMNAAKCMFNFU-UHFFFAOYSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide
CID 106499987
4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide
CID 113341456
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide
CID 107670547
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
4-hydroxy-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107671595
N,N-diethyl-4-hydroxy-2-methylbenzamide
CID 103863610
N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 104872346
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide
CID 113341404
N-(2-aminoethyl)-N,2-dimethyl-4-nitrobenzamide
CID 62682941
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 103867312
N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide
CID 107206627

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide?
The IUPAC name of N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide (CID 107670497) is N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide is Cc1cc(O)ccc1C(=O)N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide?
The InChIKey is HDWMNAAKCMFNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-8-10(15)4-5-11(9)12(16)14(2)7-3-6-13/h4-5,8,15H,3,6-7,13H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide?
N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide is sourced from PubChem (CID 107670497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).