N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide

C16H26N2O2 — CID 60725469

IUPACN-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide
SMILESCC(C)CC(C)OC(C)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C16H26N2O2/c1-11(2)9-12(3)20-13(4)16(19)18-15-7-5-14(10-17)6-8-15/h5-8,11-13H,9-10,17H2,1-4H3,(H,18,19)
InChIKeyZXIFSLLPJPTBRE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.92
Rot. Bonds7

About N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide

N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide (PubChem CID 60725469) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide
PubChem CID60725469
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide
SMILESCC(C)CC(C)OC(C)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C16H26N2O2/c1-11(2)9-12(3)20-13(4)16(19)18-15-7-5-14(10-17)6-8-15/h5-8,11-13H,9-10,17H2,1-4H3,(H,18,19)
InChIKeyZXIFSLLPJPTBRE-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

N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide
CID 103487081
N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 16789668
ethyl 2-[[4-(aminomethyl)phenyl]carbamoyl]-4-methylpentanoate;hydrochloride
CID 174057394
N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
CID 82003922
N-[4-(aminomethyl)phenyl]-2-cyanopropanamide
CID 82506537
N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)propanamide
CID 107767477
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide
CID 63557624
N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425557
N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide
CID 107767414
1-[4-(aminomethyl)phenyl]-3-(3-methylbutyl)urea
CID 43132978
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
(2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 104902669

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide (CID 60725469) is N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide is CC(C)CC(C)OC(C)C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide?
The InChIKey is ZXIFSLLPJPTBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)9-12(3)20-13(4)16(19)18-15-7-5-14(10-17)6-8-15/h5-8,11-13H,9-10,17H2,1-4H3,(H,18,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide?
N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide 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 N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide is sourced from PubChem (CID 60725469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).