2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide

C17H28N2O3 — CID 111750443

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCNC(=O)C(C)N(C)CC(C)(C)O)c1
InChIInChI=1S/C17H28N2O3/c1-13-7-6-8-15(11-13)22-10-9-18-16(20)14(2)19(5)12-17(3,4)21/h6-8,11,14,21H,9-10,12H2,1-5H3,(H,18,20)
InChIKeyPIEGHWFWFVOQGD-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.58
Rot. Bonds8

About 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide (PubChem CID 111750443) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
PubChem CID111750443
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCNC(=O)C(C)N(C)CC(C)(C)O)c1
InChIInChI=1S/C17H28N2O3/c1-13-7-6-8-15(11-13)22-10-9-18-16(20)14(2)19(5)12-17(3,4)21/h6-8,11,14,21H,9-10,12H2,1-5H3,(H,18,20)
InChIKeyPIEGHWFWFVOQGD-UHFFFAOYSA-N
XLogP1.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 94453898
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 111336190
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 86918944
(2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide
CID 35888216
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
(2S)-N-[2-(3-methylphenoxy)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 30722059
(2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 30369620
N,N-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide
CID 78818766
1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969935
2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide (CID 111750443) is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide is Cc1cccc(OCCNC(=O)C(C)N(C)CC(C)(C)O)c1.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide?
The InChIKey is PIEGHWFWFVOQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13-7-6-8-15(11-13)22-10-9-18-16(20)14(2)19(5)12-17(3,4)21/h6-8,11,14,21H,9-10,12H2,1-5H3,(H,18,20).
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide?
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide has a molecular weight of 308.42 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 111750443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).