1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea

C11H17N3O2 — CID 117235446

IUPAC1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCCN)c1
InChIInChI=1S/C11H17N3O2/c1-16-10-4-2-3-9(7-10)8-14-11(15)13-6-5-12/h2-4,7H,5-6,8,12H2,1H3,(H2,13,14,15)
InChIKeyIRNWPNKDSHOMDU-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.45
Rot. Bonds5

About 1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea

1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 117235446) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
PubChem CID117235446
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCCN)c1
InChIInChI=1S/C11H17N3O2/c1-16-10-4-2-3-9(7-10)8-14-11(15)13-6-5-12/h2-4,7H,5-6,8,12H2,1H3,(H2,13,14,15)
InChIKeyIRNWPNKDSHOMDU-UHFFFAOYSA-N
XLogP0.45
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
1-(3,3-dimethylbutyl)-3-[(3-methoxyphenyl)methyl]urea
CID 38270007
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-[2-(3-hydroxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60602886
5-[(3-methoxyphenyl)methylcarbamoylamino]-2-methylpentanoic acid
CID 104686299
1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60591409
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36505080
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea (CID 117235446) is 1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)NCCN)c1.
What is the InChIKey of 1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is IRNWPNKDSHOMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-10-4-2-3-9(7-10)8-14-11(15)13-6-5-12/h2-4,7H,5-6,8,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea?
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 223.28 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 117235446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).