2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide

C14H21N3O3 — CID 63062382

IUPAC2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide
SMILESCC(C)(C)NCc1ccccc1OCC(=O)NC(N)=O
InChIInChI=1S/C14H21N3O3/c1-14(2,3)16-8-10-6-4-5-7-11(10)20-9-12(18)17-13(15)19/h4-7,16H,8-9H2,1-3H3,(H3,15,17,18,19)
InChIKeyHOYCNBLFGQBEAD-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.15
Rot. Bonds5

About 2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide

2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide (PubChem CID 63062382) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide
PubChem CID63062382
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide
SMILESCC(C)(C)NCc1ccccc1OCC(=O)NC(N)=O
InChIInChI=1S/C14H21N3O3/c1-14(2,3)16-8-10-6-4-5-7-11(10)20-9-12(18)17-13(15)19/h4-7,16H,8-9H2,1-3H3,(H3,15,17,18,19)
InChIKeyHOYCNBLFGQBEAD-UHFFFAOYSA-N
XLogP1.15
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide
CID 43277404
2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide
CID 6459149
2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63063750
2-[(2-ethoxyphenyl)methylamino]-2-methylpropanamide
CID 61211249
N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
ethyl 2-[2-[(tert-butylamino)methyl]phenoxy]propanoate
CID 63062046
N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053262
N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63486343
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208762
N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide
CID 17053191
N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053186

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide (CID 63062382) is 2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide is CC(C)(C)NCc1ccccc1OCC(=O)NC(N)=O.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide?
The InChIKey is HOYCNBLFGQBEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)16-8-10-6-4-5-7-11(10)20-9-12(18)17-13(15)19/h4-7,16H,8-9H2,1-3H3,(H3,15,17,18,19).
What are the key properties of 2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide?
2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide has a molecular weight of 279.34 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide is sourced from PubChem (CID 63062382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).