1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea

C15H25N3O — CID 43318701

IUPAC1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea
SMILESCCCCNC(=O)N(CCCN)c1ccccc1C
InChIInChI=1S/C15H25N3O/c1-3-4-11-17-15(19)18(12-7-10-16)14-9-6-5-8-13(14)2/h5-6,8-9H,3-4,7,10-12,16H2,1-2H3,(H,17,19)
InChIKeyCZAKYPOJLBPCCR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.66
Rot. Bonds7

About 1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea

1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea (PubChem CID 43318701) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea
PubChem CID43318701
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea
SMILESCCCCNC(=O)N(CCCN)c1ccccc1C
InChIInChI=1S/C15H25N3O/c1-3-4-11-17-15(19)18(12-7-10-16)14-9-6-5-8-13(14)2/h5-6,8-9H,3-4,7,10-12,16H2,1-2H3,(H,17,19)
InChIKeyCZAKYPOJLBPCCR-UHFFFAOYSA-N
XLogP2.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea
CID 43164862
1-(2-methylphenyl)-1,3-dioctadecylurea
CID 141260118
1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea
CID 43318692
3-butyl-1-methyl-1-(2-methylphenyl)urea
CID 116655391
N-(3-aminopropyl)-N-(2-methylphenyl)benzamide
CID 28766808
1-(2-methoxyethyl)-3-[6-[[2-methoxyethyl-(2-methylphenyl)carbamoyl]amino]hexyl]-1-(2-methylphenyl)urea
CID 3841636
1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea
CID 43164865
N-(3-aminopropyl)-N-(2-methylphenyl)-2-propoxyacetamide
CID 107937233
N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide
CID 28766792
N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide
CID 62586297
3-butyl-1-(2-hydroxyphenyl)-1-methylurea
CID 14025265

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea?
The IUPAC name of 1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea (CID 43318701) is 1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea.
What is the SMILES notation for 1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea?
The canonical SMILES for 1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea is CCCCNC(=O)N(CCCN)c1ccccc1C.
What is the InChIKey of 1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea?
The InChIKey is CZAKYPOJLBPCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-4-11-17-15(19)18(12-7-10-16)14-9-6-5-8-13(14)2/h5-6,8-9H,3-4,7,10-12,16H2,1-2H3,(H,17,19).
What are the key properties of 1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea?
1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea has a molecular weight of 263.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea is sourced from PubChem (CID 43318701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).