N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide

C17H28N2O2 — CID 115588909

IUPACN-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide
SMILESCCCOc1ccc(CNC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-6-11-21-15-9-7-14(8-10-15)12-18-13(2)16(20)19-17(3,4)5/h7-10,13,18H,6,11-12H2,1-5H3,(H,19,20)
InChIKeyRMEUQXPNEZQAHN-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.87
Rot. Bonds7

About N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide

N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide (PubChem CID 115588909) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide
PubChem CID115588909
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide
SMILESCCCOc1ccc(CNC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-6-11-21-15-9-7-14(8-10-15)12-18-13(2)16(20)19-17(3,4)5/h7-10,13,18H,6,11-12H2,1-5H3,(H,19,20)
InChIKeyRMEUQXPNEZQAHN-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 115672820
N,N-dimethyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 43573853
N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43087569
2-[4-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetic acid
CID 103262777
4-[[1-(4-propoxyphenyl)ethylamino]methyl]benzoic acid
CID 122030771
N-tert-butyl-2-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103438042
methyl (2S)-2-[(4-pentoxyphenyl)methylamino]propanoate
CID 43723511
(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide
CID 93037212
2-[(4-propoxyphenyl)methylamino]propan-1-ol
CID 43499524
(2S)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610490
(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610492
2-chloro-N-[(4-propoxyphenyl)methyl]propanamide
CID 82109238

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide (CID 115588909) is N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide is CCCOc1ccc(CNC(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide?
The InChIKey is RMEUQXPNEZQAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-11-21-15-9-7-14(8-10-15)12-18-13(2)16(20)19-17(3,4)5/h7-10,13,18H,6,11-12H2,1-5H3,(H,19,20).
What are the key properties of N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide?
N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 115588909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).