1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea

C16H25N3O2 — CID 61341839

IUPAC1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea
SMILESCCNC(C)c1cccc(NC(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H25N3O2/c1-3-17-12(2)13-6-4-7-14(10-13)19-16(20)18-11-15-8-5-9-21-15/h4,6-7,10,12,15,17H,3,5,8-9,11H2,1-2H3,(H2,18,19,20)
InChIKeyBXIBWWGGRLQKGD-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.66
Rot. Bonds6

About 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea

1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 61341839) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID61341839
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea
SMILESCCNC(C)c1cccc(NC(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H25N3O2/c1-3-17-12(2)13-6-4-7-14(10-13)19-16(20)18-11-15-8-5-9-21-15/h4,6-7,10,12,15,17H,3,5,8-9,11H2,1-2H3,(H2,18,19,20)
InChIKeyBXIBWWGGRLQKGD-UHFFFAOYSA-N
XLogP2.66
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide
CID 65157098
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61339992
1-[3-(difluoromethylsulfonyl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95185510
1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea
CID 60572820
3-[3-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 115340590
1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea
CID 63995585
N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 65157052
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 20974342
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea
CID 63227876
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61341452

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea (CID 61341839) is 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea is CCNC(C)c1cccc(NC(=O)NCC2CCCO2)c1.
What is the InChIKey of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is BXIBWWGGRLQKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-17-12(2)13-6-4-7-14(10-13)19-16(20)18-11-15-8-5-9-21-15/h4,6-7,10,12,15,17H,3,5,8-9,11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea?
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 291.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 61341839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).