1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea

C14H23N3O — CID 61341261

IUPAC1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
SMILESCCC(C)NC(=O)Nc1cccc(C(C)NC)c1
InChIInChI=1S/C14H23N3O/c1-5-10(2)16-14(18)17-13-8-6-7-12(9-13)11(3)15-4/h6-11,15H,5H2,1-4H3,(H2,16,17,18)
InChIKeyUQLZFGYCJHEEHW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.89
Rot. Bonds5

About 1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea

1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea (PubChem CID 61341261) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
PubChem CID61341261
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
SMILESCCC(C)NC(=O)Nc1cccc(C(C)NC)c1
InChIInChI=1S/C14H23N3O/c1-5-10(2)16-14(18)17-13-8-6-7-12(9-13)11(3)15-4/h6-11,15H,5H2,1-4H3,(H2,16,17,18)
InChIKeyUQLZFGYCJHEEHW-UHFFFAOYSA-N
XLogP2.89
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[1-(methylamino)ethyl]phenyl]-3-(2-methylpentan-3-yl)urea
CID 61471463
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507778
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673
1-[3-[1-(methylamino)ethyl]phenyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 106283450
1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
CID 61340352
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
1-butan-2-yl-3-(3-methylsulfanylphenyl)urea
CID 17087558
1-butan-2-yl-3-(3-cyanophenyl)urea
CID 42928067
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide
CID 43507752
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]-N-methylpropanamide
CID 61466725
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43507750

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The IUPAC name of 1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea (CID 61341261) is 1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea is CCC(C)NC(=O)Nc1cccc(C(C)NC)c1.
What is the InChIKey of 1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The InChIKey is UQLZFGYCJHEEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-10(2)16-14(18)17-13-8-6-7-12(9-13)11(3)15-4/h6-11,15H,5H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea has a molecular weight of 249.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea is sourced from PubChem (CID 61341261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).