2-amino-N-(4-propoxyphenyl)propanamide

C12H18N2O2 — CID 62327124

IUPAC2-amino-N-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(NC(=O)C(C)N)cc1
InChIInChI=1S/C12H18N2O2/c1-3-8-16-11-6-4-10(5-7-11)14-12(15)9(2)13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyZSDYWWPXBUNPGD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.76
Rot. Bonds5

About 2-amino-N-(4-propoxyphenyl)propanamide

2-amino-N-(4-propoxyphenyl)propanamide (PubChem CID 62327124) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-(4-propoxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(4-propoxyphenyl)propanamide
PubChem CID62327124
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-N-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(NC(=O)C(C)N)cc1
InChIInChI=1S/C12H18N2O2/c1-3-8-16-11-6-4-10(5-7-11)14-12(15)9(2)13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyZSDYWWPXBUNPGD-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methyl-N-(4-propoxyphenyl)pentanamide
CID 62329193
(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
CID 119294951
2,3-dimethyl-4-oxo-4-(4-propoxyanilino)butanoic acid
CID 103498262
2-methyl-N-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 26907045
methyl 2-[4-[[(2R)-2-aminopropanoyl]amino]phenoxy]acetate;hydrochloride
CID 119283548
(2R)-2-amino-N-[4-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
CID 119338172
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 119903586
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide
CID 119298172
(2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide
CID 131859212
N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide
CID 67473723
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 8736375
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 7211491

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-propoxyphenyl)propanamide?
The IUPAC name of 2-amino-N-(4-propoxyphenyl)propanamide (CID 62327124) is 2-amino-N-(4-propoxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(4-propoxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-(4-propoxyphenyl)propanamide is CCCOc1ccc(NC(=O)C(C)N)cc1.
What is the InChIKey of 2-amino-N-(4-propoxyphenyl)propanamide?
The InChIKey is ZSDYWWPXBUNPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-8-16-11-6-4-10(5-7-11)14-12(15)9(2)13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(4-propoxyphenyl)propanamide?
2-amino-N-(4-propoxyphenyl)propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-propoxyphenyl)propanamide is sourced from PubChem (CID 62327124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).