N-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide

C15H23N3O3 — CID 86989240

IUPACN-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide
SMILESCOCc1ccccc1NC(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-15(2,3)18-13(19)9-16-14(20)17-12-8-6-5-7-11(12)10-21-4/h5-8H,9-10H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyJTMLYUBTTXCTLT-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.87
Rot. Bonds5

About N-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide

N-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide (PubChem CID 86989240) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide
PubChem CID86989240
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide
SMILESCOCc1ccccc1NC(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-15(2,3)18-13(19)9-16-14(20)17-12-8-6-5-7-11(12)10-21-4/h5-8H,9-10H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyJTMLYUBTTXCTLT-UHFFFAOYSA-N
XLogP1.87
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604453
(2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide
CID 82963336
1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 47034851
1-(3,3-diphenylpropyl)-3-[2-(methoxymethyl)phenyl]urea
CID 52601128
1-(4-hydroxyphenyl)-3-[2-(methoxymethyl)phenyl]urea
CID 86800658
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[2-(methoxymethyl)phenyl]urea
CID 99827847
N-(2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide
CID 61062982
2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide
CID 79797184
N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide
CID 17424278
2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid
CID 62535532
1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
CID 47034839

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide (CID 86989240) is N-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide is COCc1ccccc1NC(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide?
The InChIKey is JTMLYUBTTXCTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)18-13(19)9-16-14(20)17-12-8-6-5-7-11(12)10-21-4/h5-8H,9-10H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of N-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide?
N-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide has a molecular weight of 293.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide is sourced from PubChem (CID 86989240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).