1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea

C14H24N4O — CID 107445245

IUPAC1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NCCNC(C)(C)C)cc1
InChIInChI=1S/C14H24N4O/c1-14(2,3)17-10-9-16-11-5-7-12(8-6-11)18-13(19)15-4/h5-8,16-17H,9-10H2,1-4H3,(H2,15,18,19)
InChIKeyOARBFLXGNSPGEC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.24
Rot. Bonds5

About 1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea

1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea (PubChem CID 107445245) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea
PubChem CID107445245
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NCCNC(C)(C)C)cc1
InChIInChI=1S/C14H24N4O/c1-14(2,3)17-10-9-16-11-5-7-12(8-6-11)18-13(19)15-4/h5-8,16-17H,9-10H2,1-4H3,(H2,15,18,19)
InChIKeyOARBFLXGNSPGEC-UHFFFAOYSA-N
XLogP2.24
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3,3-dimethylbutylamino)phenyl]-3-methylurea
CID 62950033
4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide
CID 107444938
1-[4-(butylamino)phenyl]-3-methylurea
CID 43744434
1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea
CID 61324339
1-methyl-3-[4-(3-methylsulfanylpropylamino)phenyl]urea
CID 43744307
3-chloro-2,2-dimethyl-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 63680187
1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744357
1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744335
N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine
CID 107444584
1-(4-ethylphenyl)-3-methylurea
CID 54250791
1-methyl-3-[4-(2,2,2-trifluoroacetyl)phenyl]urea
CID 595397
methyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate
CID 107444896

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea (CID 107445245) is 1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea is CNC(=O)Nc1ccc(NCCNC(C)(C)C)cc1.
What is the InChIKey of 1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea?
The InChIKey is OARBFLXGNSPGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)17-10-9-16-11-5-7-12(8-6-11)18-13(19)15-4/h5-8,16-17H,9-10H2,1-4H3,(H2,15,18,19).
What are the key properties of 1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea?
1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea has a molecular weight of 264.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea is sourced from PubChem (CID 107445245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).