3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea

C17H29N3O — CID 63962271

IUPAC3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea
SMILESCCNC(C)c1ccc(NC(=O)N(C)C(C)(C)CC)cc1
InChIInChI=1S/C17H29N3O/c1-7-17(4,5)20(6)16(21)19-15-11-9-14(10-12-15)13(3)18-8-2/h9-13,18H,7-8H2,1-6H3,(H,19,21)
InChIKeyFSPLTZRINDWWLJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.01
Rot. Bonds6

About 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea

3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea (PubChem CID 63962271) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea
PubChem CID63962271
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea
SMILESCCNC(C)c1ccc(NC(=O)N(C)C(C)(C)CC)cc1
InChIInChI=1S/C17H29N3O/c1-7-17(4,5)20(6)16(21)19-15-11-9-14(10-12-15)13(3)18-8-2/h9-13,18H,7-8H2,1-6H3,(H,19,21)
InChIKeyFSPLTZRINDWWLJ-UHFFFAOYSA-N
XLogP4.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea
CID 62338403
1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 81043794
1,1-bis(cyanomethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61342198
1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 62854786
3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea
CID 82730912
N-[4-[1-(ethylamino)ethyl]phenyl]-2-phenylacetamide
CID 43507673
N-[4-[1-(ethylamino)ethyl]phenyl]-2-propan-2-yloxyacetamide
CID 112602421
2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide
CID 43507662
1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61341452
2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
CID 62821086
[4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea
CID 103699485
2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide
CID 62678760

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea?
The IUPAC name of 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea (CID 63962271) is 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea.
What is the SMILES notation for 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea?
The canonical SMILES for 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea is CCNC(C)c1ccc(NC(=O)N(C)C(C)(C)CC)cc1.
What is the InChIKey of 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea?
The InChIKey is FSPLTZRINDWWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-7-17(4,5)20(6)16(21)19-15-11-9-14(10-12-15)13(3)18-8-2/h9-13,18H,7-8H2,1-6H3,(H,19,21).
What are the key properties of 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea?
3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea has a molecular weight of 291.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea is sourced from PubChem (CID 63962271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).