2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide

C17H28N2O2 — CID 22951626

IUPAC2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCCCCCNC(=O)C(N)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-4-5-6-11-19-17(20)16(18)12-14-7-9-15(10-8-14)21-13(2)3/h7-10,13,16H,4-6,11-12,18H2,1-3H3,(H,19,20)
InChIKeyAWVHITWPKNYKCA-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.65
Rot. Bonds9

About 2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide

2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 22951626) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide
PubChem CID22951626
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCCCCCNC(=O)C(N)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-4-5-6-11-19-17(20)16(18)12-14-7-9-15(10-8-14)21-13(2)3/h7-10,13,16H,4-6,11-12,18H2,1-3H3,(H,19,20)
InChIKeyAWVHITWPKNYKCA-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[[3-oxo-3-(pentylamino)-2-[(4-propan-2-yloxyphenyl)methyl]propanoyl]amino]propanoate
CID 22951728
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 114350754
2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide
CID 115495866
methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 131251632
tert-butyl N-[1-(octylamino)-1-oxo-3-(4-propan-2-yloxyphenyl)propan-2-yl]carbamate
CID 167327234
(2S)-2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide;2-[2-(methylamino)propanoylamino]-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide;2-[2-(methylamino)propanoylamino]-N-pentyl-3-[4-(1,1,3,3-tetrahydroxypropan-2-yloxy)phenyl]propanamide;4-oxo-4-[[1-oxo-1-[[1-oxo-1-(pentylamino)-3-[4-(1,1,3,3-tetrahydroxypropan-2-yloxy)phenyl]propan-2-yl]amino]propan-2-yl]amino]butanoic acid
CID 159408215
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495782
(2S)-2-amino-3-(4-butoxyphenyl)-N-hydroxypropanamide
CID 87750253
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
(2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904634

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide (CID 22951626) is 2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide is CCCCCNC(=O)C(N)Cc1ccc(OC(C)C)cc1.
What is the InChIKey of 2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is AWVHITWPKNYKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-5-6-11-19-17(20)16(18)12-14-7-9-15(10-8-14)21-13(2)3/h7-10,13,16H,4-6,11-12,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide?
2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 22951626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).