N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide

C13H19N3O4 — CID 108892277

IUPACN-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide
SMILESCOc1ccccc1OCNC(=O)NCCCNC=O
InChIInChI=1S/C13H19N3O4/c1-19-11-5-2-3-6-12(11)20-10-16-13(18)15-8-4-7-14-9-17/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyWZXPZMOUBAOIGJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.47
Rot. Bonds9

About N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide

N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide (PubChem CID 108892277) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide
PubChem CID108892277
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide
SMILESCOc1ccccc1OCNC(=O)NCCCNC=O
InChIInChI=1S/C13H19N3O4/c1-19-11-5-2-3-6-12(11)20-10-16-13(18)15-8-4-7-14-9-17/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyWZXPZMOUBAOIGJ-UHFFFAOYSA-N
XLogP0.47
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide
CID 108892313
N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide
CID 108883904
N-[3-[(2,4-dimethylphenoxy)methylcarbamoylamino]propyl]formamide
CID 108870764
N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide
CID 84579023
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]propyl]formamide
CID 108891394
N-[3-[(2,3,6-trimethylphenoxy)methylcarbamoylamino]propyl]formamide
CID 108880304
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
N-[3-(2-phenylethylcarbamoylamino)propyl]formamide
CID 108888088
N-[4-[(2-methoxyphenoxy)methylcarbamoylamino]phenyl]acetamide
CID 108892060
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892052
1-(2-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892327

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide?
The IUPAC name of N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide (CID 108892277) is N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide.
What is the SMILES notation for N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide?
The canonical SMILES for N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide is COc1ccccc1OCNC(=O)NCCCNC=O.
What is the InChIKey of N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide?
The InChIKey is WZXPZMOUBAOIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-19-11-5-2-3-6-12(11)20-10-16-13(18)15-8-4-7-14-9-17/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,14,17)(H2,15,16,18).
What are the key properties of N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide?
N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide has a molecular weight of 281.31 g/mol, XLogP of 0.47, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide is sourced from PubChem (CID 108892277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).