1-(2-aminoethyl)-1-benzyl-3-tert-butylurea

C14H23N3O — CID 61014681

IUPAC1-(2-aminoethyl)-1-benzyl-3-tert-butylurea
SMILESCC(C)(C)NC(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C14H23N3O/c1-14(2,3)16-13(18)17(10-9-15)11-12-7-5-4-6-8-12/h4-8H,9-11,15H2,1-3H3,(H,16,18)
InChIKeyPGSPYBMULQPXCU-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.96
Rot. Bonds4

About 1-(2-aminoethyl)-1-benzyl-3-tert-butylurea

1-(2-aminoethyl)-1-benzyl-3-tert-butylurea (PubChem CID 61014681) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1-benzyl-3-tert-butylurea.

Molecular Properties

Compound Name1-(2-aminoethyl)-1-benzyl-3-tert-butylurea
PubChem CID61014681
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(2-aminoethyl)-1-benzyl-3-tert-butylurea
SMILESCC(C)(C)NC(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C14H23N3O/c1-14(2,3)16-13(18)17(10-9-15)11-12-7-5-4-6-8-12/h4-8H,9-11,15H2,1-3H3,(H,16,18)
InChIKeyPGSPYBMULQPXCU-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea
CID 139577324
1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea
CID 61014414
1-(2-aminoethyl)-1-benzyl-3-(4-fluorophenyl)urea
CID 61014415
N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477971
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
CID 120872102
1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-3-tert-butyl-1-(pyridin-4-ylmethyl)urea
CID 10248605
3-tert-butyl-1-hydroxy-1-[(4-phenylphenyl)methyl]urea
CID 19817266
N-(2-aminoethyl)-N-benzyl-4-methylpentanamide
CID 61014679
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882
N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-1-benzyl-3-tert-butylurea?
The IUPAC name of 1-(2-aminoethyl)-1-benzyl-3-tert-butylurea (CID 61014681) is 1-(2-aminoethyl)-1-benzyl-3-tert-butylurea.
What is the SMILES notation for 1-(2-aminoethyl)-1-benzyl-3-tert-butylurea?
The canonical SMILES for 1-(2-aminoethyl)-1-benzyl-3-tert-butylurea is CC(C)(C)NC(=O)N(CCN)Cc1ccccc1.
What is the InChIKey of 1-(2-aminoethyl)-1-benzyl-3-tert-butylurea?
The InChIKey is PGSPYBMULQPXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,3)16-13(18)17(10-9-15)11-12-7-5-4-6-8-12/h4-8H,9-11,15H2,1-3H3,(H,16,18).
What are the key properties of 1-(2-aminoethyl)-1-benzyl-3-tert-butylurea?
1-(2-aminoethyl)-1-benzyl-3-tert-butylurea has a molecular weight of 249.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1-benzyl-3-tert-butylurea is sourced from PubChem (CID 61014681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).