N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide

C16H25N3O3 — CID 108881756

IUPACN-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide
SMILESCc1cccc(C)c1OCCCNC(=O)N(C=O)CCCN
InChIInChI=1S/C16H25N3O3/c1-13-6-3-7-14(2)15(13)22-11-5-9-18-16(21)19(12-20)10-4-8-17/h3,6-7,12H,4-5,8-11,17H2,1-2H3,(H,18,21)
InChIKeyDSLABCACRFMHBV-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.59
Rot. Bonds9

About N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide

N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide (PubChem CID 108881756) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide
PubChem CID108881756
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide
SMILESCc1cccc(C)c1OCCCNC(=O)N(C=O)CCCN
InChIInChI=1S/C16H25N3O3/c1-13-6-3-7-14(2)15(13)22-11-5-9-18-16(21)19(12-20)10-4-8-17/h3,6-7,12H,4-5,8-11,17H2,1-2H3,(H,18,21)
InChIKeyDSLABCACRFMHBV-UHFFFAOYSA-N
XLogP1.59
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide
CID 108899749
N-(3-aminopropyl)-N-[3-(2-chlorophenoxy)propylcarbamoyl]formamide
CID 108883542
3-(2,6-dimethylphenoxy)propylurea
CID 119091227
ethyl N-[2-[3-(2,6-dimethylphenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108881896
3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea
CID 108881752
N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
CID 82335715
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-methylpropyl)urea
CID 108881582
1-benzyl-3-[3-(2,6-dimethylphenoxy)propyl]-1-phenylurea
CID 108881750
1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea
CID 108881887
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide
CID 108869157
N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide
CID 108528899

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide?
The IUPAC name of N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide (CID 108881756) is N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide?
The canonical SMILES for N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide is Cc1cccc(C)c1OCCCNC(=O)N(C=O)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide?
The InChIKey is DSLABCACRFMHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-13-6-3-7-14(2)15(13)22-11-5-9-18-16(21)19(12-20)10-4-8-17/h3,6-7,12H,4-5,8-11,17H2,1-2H3,(H,18,21).
What are the key properties of N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide?
N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide has a molecular weight of 307.39 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide is sourced from PubChem (CID 108881756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).