N-tert-butyl-2-(diethylcarbamoylamino)acetamide

C11H23N3O2 — CID 115575873

IUPACN-tert-butyl-2-(diethylcarbamoylamino)acetamide
SMILESCCN(CC)C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-6-14(7-2)10(16)12-8-9(15)13-11(3,4)5/h6-8H2,1-5H3,(H,12,16)(H,13,15)
InChIKeyDRDHLNKQMASUJI-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.95
Rot. Bonds4

About N-tert-butyl-2-(diethylcarbamoylamino)acetamide

N-tert-butyl-2-(diethylcarbamoylamino)acetamide (PubChem CID 115575873) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-tert-butyl-2-(diethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(diethylcarbamoylamino)acetamide
PubChem CID115575873
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-tert-butyl-2-(diethylcarbamoylamino)acetamide
SMILESCCN(CC)C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-6-14(7-2)10(16)12-8-9(15)13-11(3,4)5/h6-8H2,1-5H3,(H,12,16)(H,13,15)
InChIKeyDRDHLNKQMASUJI-UHFFFAOYSA-N
XLogP0.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-ethylamino]-2-methylpropanoic acid
CID 115356740
2-(diethylcarbamoylamino)-N-ethylacetamide
CID 115583198
2-(diethylcarbamoylamino)-N-propylacetamide
CID 115575868
N-tert-butyl-N',N'-diethylpropanediamide
CID 108951053
2-[tert-butylcarbamoyl(ethyl)amino]-N-ethylacetamide
CID 115571895
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid
CID 113293259
ethyl 2-(diethylcarbamoylamino)acetate
CID 43385178
3-(2-bromoprop-2-enyl)-1,1-diethylurea
CID 115595139
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
CID 62831395
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832401
N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide
CID 2113270
N-tert-butyl-2-[(N,N,N'-trimethylcarbamimidoyl)amino]acetamide
CID 111383504

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(diethylcarbamoylamino)acetamide?
The IUPAC name of N-tert-butyl-2-(diethylcarbamoylamino)acetamide (CID 115575873) is N-tert-butyl-2-(diethylcarbamoylamino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(diethylcarbamoylamino)acetamide?
The canonical SMILES for N-tert-butyl-2-(diethylcarbamoylamino)acetamide is CCN(CC)C(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(diethylcarbamoylamino)acetamide?
The InChIKey is DRDHLNKQMASUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-6-14(7-2)10(16)12-8-9(15)13-11(3,4)5/h6-8H2,1-5H3,(H,12,16)(H,13,15).
What are the key properties of N-tert-butyl-2-(diethylcarbamoylamino)acetamide?
N-tert-butyl-2-(diethylcarbamoylamino)acetamide has a molecular weight of 229.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(diethylcarbamoylamino)acetamide is sourced from PubChem (CID 115575873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).