2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide

C16H26N2O3 — CID 81071157

IUPAC2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide
SMILESCOCCCC(N)C(=O)Nc1ccc(OC(C)C)cc1C
InChIInChI=1S/C16H26N2O3/c1-11(2)21-13-7-8-15(12(3)10-13)18-16(19)14(17)6-5-9-20-4/h7-8,10-11,14H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyPWOUYWYQLCDSRO-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.47
Rot. Bonds8

About 2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide

2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide (PubChem CID 81071157) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide
PubChem CID81071157
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide
SMILESCOCCCC(N)C(=O)Nc1ccc(OC(C)C)cc1C
InChIInChI=1S/C16H26N2O3/c1-11(2)21-13-7-8-15(12(3)10-13)18-16(19)14(17)6-5-9-20-4/h7-8,10-11,14H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyPWOUYWYQLCDSRO-UHFFFAOYSA-N
XLogP2.47
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-ethoxy-2-methylphenyl)-5-methoxypentanamide
CID 81082492
(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 92930680
2-amino-N-(4-methoxy-2-methylphenyl)hexanamide
CID 62871713
2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide
CID 81089395
2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide
CID 120988950
2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide
CID 104727023
2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
CID 81081841
3-chloro-2-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 62727955
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
CID 81081032
2-amino-N-(2,4-dimethylphenyl)-3-methoxypropanamide
CID 81082397
2-[(2-amino-5-methoxypentanoyl)amino]benzamide
CID 81082219

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide (CID 81071157) is 2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide is COCCCC(N)C(=O)Nc1ccc(OC(C)C)cc1C.
What is the InChIKey of 2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide?
The InChIKey is PWOUYWYQLCDSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)21-13-7-8-15(12(3)10-13)18-16(19)14(17)6-5-9-20-4/h7-8,10-11,14H,5-6,9,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide?
2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide has a molecular weight of 294.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide is sourced from PubChem (CID 81071157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).