N-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide

C14H21N3O3 — CID 108870763

IUPACN-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide
SMILESCc1ccc(OCNC(=O)N(C=O)CCCN)c(C)c1
InChIInChI=1S/C14H21N3O3/c1-11-4-5-13(12(2)8-11)20-9-16-14(19)17(10-18)7-3-6-15/h4-5,8,10H,3,6-7,9,15H2,1-2H3,(H,16,19)
InChIKeyCGQLSLWXQXFOBM-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.16
Rot. Bonds7

About N-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide

N-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide (PubChem CID 108870763) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide
PubChem CID108870763
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide
SMILESCc1ccc(OCNC(=O)N(C=O)CCCN)c(C)c1
InChIInChI=1S/C14H21N3O3/c1-11-4-5-13(12(2)8-11)20-9-16-14(19)17(10-18)7-3-6-15/h4-5,8,10H,3,6-7,9,15H2,1-2H3,(H,16,19)
InChIKeyCGQLSLWXQXFOBM-UHFFFAOYSA-N
XLogP1.16
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(dimethylamino)propyl]-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870723
N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide
CID 108515462
N-[3-[(2,4-dimethylphenoxy)methylcarbamoylamino]propyl]formamide
CID 108870764
1-(4-aminophenyl)-3-[(2,4-dimethylphenoxy)methyl]-1-phenylurea
CID 108870728
1-tert-butyl-3-[(2,4-dimethylphenoxy)methyl]-1-ethylurea
CID 108870801
N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide
CID 108899749
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108870890
1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea
CID 108870709
1-[2-(dimethylamino)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973611
N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide
CID 108869157
3-[(2,4-dimethylphenoxy)methylcarbamoylamino]benzoic acid
CID 108870540

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide?
The IUPAC name of N-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide (CID 108870763) is N-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide?
The canonical SMILES for N-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide is Cc1ccc(OCNC(=O)N(C=O)CCCN)c(C)c1.
What is the InChIKey of N-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide?
The InChIKey is CGQLSLWXQXFOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11-4-5-13(12(2)8-11)20-9-16-14(19)17(10-18)7-3-6-15/h4-5,8,10H,3,6-7,9,15H2,1-2H3,(H,16,19).
What are the key properties of N-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide?
N-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide has a molecular weight of 279.34 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide is sourced from PubChem (CID 108870763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).