1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea

C13H21N3O2 — CID 55151509

IUPAC1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea
SMILESCOc1ccc(NC(=O)N(CCN)C(C)C)cc1
InChIInChI=1S/C13H21N3O2/c1-10(2)16(9-8-14)13(17)15-11-4-6-12(18-3)7-5-11/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyDTLPHFUQXUEPPN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.90
Rot. Bonds5

About 1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea

1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea (PubChem CID 55151509) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea
PubChem CID55151509
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea
SMILESCOc1ccc(NC(=O)N(CCN)C(C)C)cc1
InChIInChI=1S/C13H21N3O2/c1-10(2)16(9-8-14)13(17)15-11-4-6-12(18-3)7-5-11/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyDTLPHFUQXUEPPN-UHFFFAOYSA-N
XLogP1.90
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate
CID 61021199
ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate
CID 42697968
1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea
CID 43319501
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 61349332
1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea
CID 111754632
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(4-methoxyphenyl)-1-methylurea
CID 54991623
1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea
CID 82938648
5-amino-N-(4-methoxyphenyl)-4-methylpentanamide
CID 82017203
3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
CID 61184948
1-(3-amino-3-hydroxyiminopropyl)-3-(4-chlorophenyl)-1-propan-2-ylurea
CID 76911457
2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide
CID 81187922

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea?
The IUPAC name of 1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea (CID 55151509) is 1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea?
The canonical SMILES for 1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea is COc1ccc(NC(=O)N(CCN)C(C)C)cc1.
What is the InChIKey of 1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea?
The InChIKey is DTLPHFUQXUEPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)16(9-8-14)13(17)15-11-4-6-12(18-3)7-5-11/h4-7,10H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of 1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea?
1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea has a molecular weight of 251.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea is sourced from PubChem (CID 55151509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).