N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide

C15H23N3O3 — CID 108883904

IUPACN-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide
SMILESCc1ccccc1OCCCNC(=O)NCCCNC=O
InChIInChI=1S/C15H23N3O3/c1-13-6-2-3-7-14(13)21-11-5-10-18-15(20)17-9-4-8-16-12-19/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,16,19)(H2,17,18,20)
InChIKeyFNAQFPFGXSJTNE-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.20
Rot. Bonds10

About N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide

N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide (PubChem CID 108883904) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide.

Molecular Properties

Compound NameN-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide
PubChem CID108883904
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide
SMILESCc1ccccc1OCCCNC(=O)NCCCNC=O
InChIInChI=1S/C15H23N3O3/c1-13-6-2-3-7-14(13)21-11-5-10-18-15(20)17-9-4-8-16-12-19/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,16,19)(H2,17,18,20)
InChIKeyFNAQFPFGXSJTNE-UHFFFAOYSA-N
XLogP1.20
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518
N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide
CID 108892277
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
N-[3-[(2,4-dimethylphenoxy)methylcarbamoylamino]propyl]formamide
CID 108870764
1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883809
1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884020
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801
1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969797
N-[3-[(2,3,6-trimethylphenoxy)methylcarbamoylamino]propyl]formamide
CID 108880304

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide?
The IUPAC name of N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide (CID 108883904) is N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide.
What is the SMILES notation for N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide?
The canonical SMILES for N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide is Cc1ccccc1OCCCNC(=O)NCCCNC=O.
What is the InChIKey of N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide?
The InChIKey is FNAQFPFGXSJTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-13-6-2-3-7-14(13)21-11-5-10-18-15(20)17-9-4-8-16-12-19/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide?
N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide has a molecular weight of 293.37 g/mol, XLogP of 1.20, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide is sourced from PubChem (CID 108883904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).