1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea

C14H23N3O — CID 43602424

IUPAC1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea
SMILESCCNCc1ccccc1NC(=O)NC(C)(C)C
InChIInChI=1S/C14H23N3O/c1-5-15-10-11-8-6-7-9-12(11)16-13(18)17-14(2,3)4/h6-9,15H,5,10H2,1-4H3,(H2,16,17,18)
InChIKeyLMYFFKILZDDZJP-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.72
Rot. Bonds4

About 1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea

1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea (PubChem CID 43602424) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea
PubChem CID43602424
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea
SMILESCCNCc1ccccc1NC(=O)NC(C)(C)C
InChIInChI=1S/C14H23N3O/c1-5-15-10-11-8-6-7-9-12(11)16-13(18)17-14(2,3)4/h6-9,15H,5,10H2,1-4H3,(H2,16,17,18)
InChIKeyLMYFFKILZDDZJP-UHFFFAOYSA-N
XLogP2.72
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid
CID 62535532
N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide
CID 119440882
N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 119439887
1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide
CID 119440330
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
1-tert-butyl-3-[3-(tert-butylcarbamoylamino)-2-methylphenyl]urea
CID 58918478
N-[2-(ethylaminomethyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 43809215
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
CID 119440105
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea (CID 43602424) is 1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea is CCNCc1ccccc1NC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea?
The InChIKey is LMYFFKILZDDZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-15-10-11-8-6-7-9-12(11)16-13(18)17-14(2,3)4/h6-9,15H,5,10H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea?
1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea has a molecular weight of 249.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea is sourced from PubChem (CID 43602424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).