2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide

C16H26N2O2 — CID 119753959

IUPAC2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(COC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-12(4)15(17)16(19)18-14-8-6-7-13(9-14)10-20-11(2)3/h6-9,11-12,15H,5,10,17H2,1-4H3,(H,18,19)
InChIKeyIZDYTCJHDVUJMD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.92
Rot. Bonds7

About 2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide

2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide (PubChem CID 119753959) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide
PubChem CID119753959
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(COC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-12(4)15(17)16(19)18-14-8-6-7-13(9-14)10-20-11(2)3/h6-9,11-12,15H,5,10,17H2,1-4H3,(H,18,19)
InChIKeyIZDYTCJHDVUJMD-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 120987551
2-amino-2-phenyl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119306292
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride
CID 119706304
(2S,3S)-2-amino-3-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 61178548
(2S)-2-amino-4-methylsulfanyl-N-[3-(propan-2-yloxymethyl)phenyl]butanamide
CID 119306285
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide
CID 119702060
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]benzoic acid
CID 61156933
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
CID 54862748

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide (CID 119753959) is 2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide is CCC(C)C(N)C(=O)Nc1cccc(COC(C)C)c1.
What is the InChIKey of 2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide?
The InChIKey is IZDYTCJHDVUJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-12(4)15(17)16(19)18-14-8-6-7-13(9-14)10-20-11(2)3/h6-9,11-12,15H,5,10,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide?
2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide is sourced from PubChem (CID 119753959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).