N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide

C18H29N3O3 — CID 51245206

IUPACN-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
SMILESCc1ccccc1OCCN(C)C(C)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C18H29N3O3/c1-13-9-7-8-10-15(13)24-12-11-21(6)14(2)16(22)19-17(23)20-18(3,4)5/h7-10,14H,11-12H2,1-6H3,(H2,19,20,22,23)
InChIKeyPOQZGQSDEOFPPR-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.32
Rot. Bonds6

About N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide

N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide (PubChem CID 51245206) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
PubChem CID51245206
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
SMILESCc1ccccc1OCCN(C)C(C)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C18H29N3O3/c1-13-9-7-8-10-15(13)24-12-11-21(6)14(2)16(22)19-17(23)20-18(3,4)5/h7-10,14H,11-12H2,1-6H3,(H2,19,20,22,23)
InChIKeyPOQZGQSDEOFPPR-UHFFFAOYSA-N
XLogP2.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 92514457
N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 51243139
(2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 27123609
N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 51242961
1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969797
(2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 51925651
N-(2,5-dimethoxyphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 46630124
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 18083553
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 17399068
N-(1-cyanocyclohexyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 18094775
N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide
CID 55869495
(2R)-N-(tert-butylcarbamoyl)-2-[methyl-[3-(3-methylsulfonylphenoxy)propyl]amino]propanamide
CID 95344181

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide (CID 51245206) is N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide is Cc1ccccc1OCCN(C)C(C)C(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide?
The InChIKey is POQZGQSDEOFPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13-9-7-8-10-15(13)24-12-11-21(6)14(2)16(22)19-17(23)20-18(3,4)5/h7-10,14H,11-12H2,1-6H3,(H2,19,20,22,23).
What are the key properties of N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide?
N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide has a molecular weight of 335.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide is sourced from PubChem (CID 51245206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).