N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide

C15H23N3O2 — CID 113056611

IUPACN-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)Nc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-12(19)18(15(2,3)4)11-10-16-14(20)17-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3,(H2,16,17,20)
InChIKeyNJHJNFIEPGTOIO-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.46
Rot. Bonds4

About N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide

N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide (PubChem CID 113056611) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
PubChem CID113056611
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)Nc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-12(19)18(15(2,3)4)11-10-16-14(20)17-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3,(H2,16,17,20)
InChIKeyNJHJNFIEPGTOIO-UHFFFAOYSA-N
XLogP2.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide
CID 113056581
N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113054043
N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059339
N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059217
N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113053321
1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068475
N-(2-ethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113060788
1-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069597
1-dodecyl-3-phenylurea
CID 3697946
2-methyl-5-(phenylcarbamoylamino)pent-2-enoic acid
CID 57201244
N-(2,4-dimethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113061264
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide (CID 113056611) is N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide is CC(=O)N(CCNC(=O)Nc1ccccc1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
The InChIKey is NJHJNFIEPGTOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(19)18(15(2,3)4)11-10-16-14(20)17-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3,(H2,16,17,20).
What are the key properties of N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113056611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).