1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea

C14H21N3O2 — CID 43319501

IUPAC1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N(CCCN)C2CC2)cc1
InChIInChI=1S/C14H21N3O2/c1-19-13-7-3-11(4-8-13)16-14(18)17(10-2-9-15)12-5-6-12/h3-4,7-8,12H,2,5-6,9-10,15H2,1H3,(H,16,18)
InChIKeyVKDISLPPLULSRI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.04
Rot. Bonds6

About 1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea

1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea (PubChem CID 43319501) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea
PubChem CID43319501
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N(CCCN)C2CC2)cc1
InChIInChI=1S/C14H21N3O2/c1-19-13-7-3-11(4-8-13)16-14(18)17(10-2-9-15)12-5-6-12/h3-4,7-8,12H,2,5-6,9-10,15H2,1H3,(H,16,18)
InChIKeyVKDISLPPLULSRI-UHFFFAOYSA-N
XLogP2.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea
CID 111430067
1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea
CID 61309564
1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea
CID 102874255
N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide
CID 43136784
1-(3-aminopropyl)-1-cyclopentyl-3-phenylurea
CID 43319508
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea
CID 55151509
1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea
CID 61455441
methyl N-(3-aminopropyl)-N-cyclopropylcarbamate
CID 43137085
4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452845
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea
CID 102865027

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea (CID 43319501) is 1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)N(CCCN)C2CC2)cc1.
What is the InChIKey of 1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea?
The InChIKey is VKDISLPPLULSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-13-7-3-11(4-8-13)16-14(18)17(10-2-9-15)12-5-6-12/h3-4,7-8,12H,2,5-6,9-10,15H2,1H3,(H,16,18).
What are the key properties of 1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea?
1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea has a molecular weight of 263.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 43319501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).