N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide

C16H24N2O2 — CID 115581406

IUPACN-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
SMILESC=CCOc1ccccc1CNCCC(=O)NC(C)C
InChIInChI=1S/C16H24N2O2/c1-4-11-20-15-8-6-5-7-14(15)12-17-10-9-16(19)18-13(2)3/h4-8,13,17H,1,9-12H2,2-3H3,(H,18,19)
InChIKeyDRFNFTMFXFJUDW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.26
Rot. Bonds9

About N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide

N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide (PubChem CID 115581406) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
PubChem CID115581406
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
SMILESC=CCOc1ccccc1CNCCC(=O)NC(C)C
InChIInChI=1S/C16H24N2O2/c1-4-11-20-15-8-6-5-7-14(15)12-17-10-9-16(19)18-13(2)3/h4-8,13,17H,1,9-12H2,2-3H3,(H,18,19)
InChIKeyDRFNFTMFXFJUDW-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[N'-methyl-N-[(2-prop-2-enoxyphenyl)methyl]carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111556184
N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54935293
4-[(2-prop-2-enoxyphenyl)methylamino]butanamide
CID 60865208
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate
CID 83211974
N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine
CID 55097704
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54950815
1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea
CID 89224365
1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 111116921
2-methyl-N-[2-[[N'-methyl-N-[(2-prop-2-enoxyphenyl)methyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111556232

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide?
The IUPAC name of N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide (CID 115581406) is N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide is C=CCOc1ccccc1CNCCC(=O)NC(C)C.
What is the InChIKey of N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide?
The InChIKey is DRFNFTMFXFJUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-11-20-15-8-6-5-7-14(15)12-17-10-9-16(19)18-13(2)3/h4-8,13,17H,1,9-12H2,2-3H3,(H,18,19).
What are the key properties of N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide?
N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 115581406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).