1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea

C14H23N3O — CID 43137073

IUPAC1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea
SMILESCc1cccc(NC(=O)N(CCCN)C(C)C)c1
InChIInChI=1S/C14H23N3O/c1-11(2)17(9-5-8-15)14(18)16-13-7-4-6-12(3)10-13/h4,6-7,10-11H,5,8-9,15H2,1-3H3,(H,16,18)
InChIKeyRNARUNWTSCVMFD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.59
Rot. Bonds5

About 1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea

1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea (PubChem CID 43137073) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea
PubChem CID43137073
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea
SMILESCc1cccc(NC(=O)N(CCCN)C(C)C)c1
InChIInChI=1S/C14H23N3O/c1-11(2)17(9-5-8-15)14(18)16-13-7-4-6-12(3)10-13/h4,6-7,10-11H,5,8-9,15H2,1-3H3,(H,16,18)
InChIKeyRNARUNWTSCVMFD-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide
CID 108887986
1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070
1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493
1-(4-aminobutan-2-yl)-1-methyl-3-(3-methylphenyl)urea
CID 55174910
1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea
CID 61348548
1-(3-bromopropyl)-1-methyl-3-(3-methylphenyl)urea
CID 106441564
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
4-amino-2-methyl-N-(3-methylphenyl)butanamide
CID 80542067
1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea
CID 60921949
2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid
CID 170308811
tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate
CID 108888023
1-(3-amino-3-sulfanylidenepropyl)-3-(3-chlorophenyl)-1-propan-2-ylurea
CID 54998142

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea?
The IUPAC name of 1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea (CID 43137073) is 1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea?
The canonical SMILES for 1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea is Cc1cccc(NC(=O)N(CCCN)C(C)C)c1.
What is the InChIKey of 1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea?
The InChIKey is RNARUNWTSCVMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)17(9-5-8-15)14(18)16-13-7-4-6-12(3)10-13/h4,6-7,10-11H,5,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea?
1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea has a molecular weight of 249.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea is sourced from PubChem (CID 43137073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).