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

C17H27N3O — CID 63995785

IUPAC1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
SMILESCCNC(C)c1ccc(NC(=O)NC(C)CC2CC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-18-13(3)15-7-9-16(10-8-15)20-17(21)19-12(2)11-14-5-6-14/h7-10,12-14,18H,4-6,11H2,1-3H3,(H2,19,20,21)
InChIKeyJJHGYJMNFOMVAG-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.67
Rot. Bonds7

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

1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea (PubChem CID 63995785) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
PubChem CID63995785
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
SMILESCCNC(C)c1ccc(NC(=O)NC(C)CC2CC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-18-13(3)15-7-9-16(10-8-15)20-17(21)19-12(2)11-14-5-6-14/h7-10,12-14,18H,4-6,11H2,1-3H3,(H2,19,20,21)
InChIKeyJJHGYJMNFOMVAG-UHFFFAOYSA-N
XLogP3.67
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea
CID 63995585
1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61341452
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
1-butan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 61341260
1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 62854786
1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508325
N-[4-[1-(ethylamino)ethyl]phenyl]-2-propan-2-yloxyacetamide
CID 112602421
N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide
CID 79179400
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340342
2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid
CID 65350042
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 61341658
N-[4-[1-(ethylamino)ethyl]phenyl]-2-phenylacetamide
CID 43507673

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea?
The IUPAC name of 1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea (CID 63995785) is 1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea is CCNC(C)c1ccc(NC(=O)NC(C)CC2CC2)cc1.
What is the InChIKey of 1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea?
The InChIKey is JJHGYJMNFOMVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-18-13(3)15-7-9-16(10-8-15)20-17(21)19-12(2)11-14-5-6-14/h7-10,12-14,18H,4-6,11H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea?
1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea has a molecular weight of 289.42 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea is sourced from PubChem (CID 63995785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).