2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide

C15H23N3O3 — CID 106938877

IUPAC2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide
SMILESCC(C)(CNCc1ccccc1)COCC(=O)NC(N)=O
InChIInChI=1S/C15H23N3O3/c1-15(2,11-21-9-13(19)18-14(16)20)10-17-8-12-6-4-3-5-7-12/h3-7,17H,8-11H2,1-2H3,(H3,16,18,19,20)
InChIKeySSFWWUNWQFJAHA-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.01
Rot. Bonds8

About 2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide

2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide (PubChem CID 106938877) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide
PubChem CID106938877
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide
SMILESCC(C)(CNCc1ccccc1)COCC(=O)NC(N)=O
InChIInChI=1S/C15H23N3O3/c1-15(2,11-21-9-13(19)18-14(16)20)10-17-8-12-6-4-3-5-7-12/h3-7,17H,8-11H2,1-2H3,(H3,16,18,19,20)
InChIKeySSFWWUNWQFJAHA-UHFFFAOYSA-N
XLogP1.01
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine
CID 112568802
3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol
CID 106938875
2-(2-amino-2-methylpropoxy)-N-benzylacetamide
CID 64537589
N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 103034495
N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine
CID 112568841
N-benzyl-3-(4-methoxybutoxy)-2,2-dimethylpropan-1-amine
CID 104648302
N-benzyl-2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine
CID 115925386
N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine
CID 115925354
[2-(carbamoylamino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573092
N-carbamoyl-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950498
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
ethyl 2-(benzylamino)acetate;oxalic acid
CID 17052843

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide?
The IUPAC name of 2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide (CID 106938877) is 2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide.
What is the SMILES notation for 2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide?
The canonical SMILES for 2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide is CC(C)(CNCc1ccccc1)COCC(=O)NC(N)=O.
What is the InChIKey of 2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide?
The InChIKey is SSFWWUNWQFJAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,11-21-9-13(19)18-14(16)20)10-17-8-12-6-4-3-5-7-12/h3-7,17H,8-11H2,1-2H3,(H3,16,18,19,20).
What are the key properties of 2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide?
2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide has a molecular weight of 293.37 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide is sourced from PubChem (CID 106938877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).