N-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide

C16H25N3O3 — CID 108878811

IUPACN-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide
SMILESCC(NC(=O)N(C=O)CCCN)Oc1ccccc1C(C)C
InChIInChI=1S/C16H25N3O3/c1-12(2)14-7-4-5-8-15(14)22-13(3)18-16(21)19(11-20)10-6-9-17/h4-5,7-8,11-13H,6,9-10,17H2,1-3H3,(H,18,21)
InChIKeyOPWQWUKUJWMRHS-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.05
Rot. Bonds8

About N-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide

N-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide (PubChem CID 108878811) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide
PubChem CID108878811
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide
SMILESCC(NC(=O)N(C=O)CCCN)Oc1ccccc1C(C)C
InChIInChI=1S/C16H25N3O3/c1-12(2)14-7-4-5-8-15(14)22-13(3)18-16(21)19(11-20)10-6-9-17/h4-5,7-8,11-13H,6,9-10,17H2,1-3H3,(H,18,21)
InChIKeyOPWQWUKUJWMRHS-UHFFFAOYSA-N
XLogP2.05
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.05
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

N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide
CID 108867513
1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea
CID 108878787
(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30379413
1-(4-phenylbutyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878945
1-[(4-fluorophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878836
N-(3-aminopropyl)-N-[3-(2-chlorophenoxy)propylcarbamoyl]formamide
CID 108883542
1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878923
1-(3-bromophenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878820
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878886
4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
CID 108878755
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108878902

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide?
The IUPAC name of N-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide (CID 108878811) is N-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide?
The canonical SMILES for N-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide is CC(NC(=O)N(C=O)CCCN)Oc1ccccc1C(C)C.
What is the InChIKey of N-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide?
The InChIKey is OPWQWUKUJWMRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12(2)14-7-4-5-8-15(14)22-13(3)18-16(21)19(11-20)10-6-9-17/h4-5,7-8,11-13H,6,9-10,17H2,1-3H3,(H,18,21).
What are the key properties of N-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide?
N-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide has a molecular weight of 307.39 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide is sourced from PubChem (CID 108878811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).