N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

C20H29N3O3 — CID 119260778

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
SMILESCCC(CC)(CN)NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C20H29N3O3/c1-5-20(6-2,13-21)22-19(24)11-16-7-9-17(10-8-16)25-12-18-14(3)23-26-15(18)4/h7-10H,5-6,11-13,21H2,1-4H3,(H,22,24)
InChIKeyWEJKHHMPYDKSJC-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.05
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide (PubChem CID 119260778) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
PubChem CID119260778
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
SMILESCCC(CC)(CN)NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C20H29N3O3/c1-5-20(6-2,13-21)22-19(24)11-16-7-9-17(10-8-16)25-12-18-14(3)23-26-15(18)4/h7-10H,5-6,11-13,21H2,1-4H3,(H,22,24)
InChIKeyWEJKHHMPYDKSJC-UHFFFAOYSA-N
XLogP3.05
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide with MolForge

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Related Compounds

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
N-cyclopentyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 9265218
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7771018
4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentanoic acid
CID 119357344
(2-amino-2-oxoethyl) 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7771114
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-pentylacetamide
CID 26532652
N-[2-(aminomethyl)cyclopentyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 119261004
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-prop-2-enylacetamide
CID 26641405
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(3,5-dimethylphenyl)acetamide
CID 7961030
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 112766082
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7398980
N-(3,5-dimethoxyphenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 7960814

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide (CID 119260778) is N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide is CCC(CC)(CN)NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The InChIKey is WEJKHHMPYDKSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-5-20(6-2,13-21)22-19(24)11-16-7-9-17(10-8-16)25-12-18-14(3)23-26-15(18)4/h7-10H,5-6,11-13,21H2,1-4H3,(H,22,24).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 119260778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).