N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide

C19H24N2O3 — CID 70545546

IUPACN-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCNCC(O)COc1ccccc1
InChIInChI=1S/C19H24N2O3/c1-15-7-5-6-10-18(15)19(23)21-12-11-20-13-16(22)14-24-17-8-3-2-4-9-17/h2-10,16,20,22H,11-14H2,1H3,(H,21,23)
InChIKeyQBXSXUOWRCPTSO-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.75
Rot. Bonds9

About N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide

N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide (PubChem CID 70545546) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide
PubChem CID70545546
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCNCC(O)COc1ccccc1
InChIInChI=1S/C19H24N2O3/c1-15-7-5-6-10-18(15)19(23)21-12-11-20-13-16(22)14-24-17-8-3-2-4-9-17/h2-10,16,20,22H,11-14H2,1H3,(H,21,23)
InChIKeyQBXSXUOWRCPTSO-UHFFFAOYSA-N
XLogP1.75
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-2-methylbenzamide
CID 84562345
2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide
CID 13030863
phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
CID 108574783
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 13030875
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
(2S)-1-[2-(benzylamino)ethylamino]-3-phenoxypropan-2-ol
CID 129389592
N-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide
CID 56597590
7-[(2-hydroxy-3-phenoxypropyl)amino]heptanoic acid
CID 3304910
2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
CID 2812098

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide (CID 70545546) is N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCNCC(O)COc1ccccc1.
What is the InChIKey of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide?
The InChIKey is QBXSXUOWRCPTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-15-7-5-6-10-18(15)19(23)21-12-11-20-13-16(22)14-24-17-8-3-2-4-9-17/h2-10,16,20,22H,11-14H2,1H3,(H,21,23).
What are the key properties of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide?
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide has a molecular weight of 328.41 g/mol, XLogP of 1.75, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide is sourced from PubChem (CID 70545546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).